REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1h2y_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSFQYPDVY RDETAIQDYH GHKVCDPYAW LEDPDSEQTK AFVEAQNKIT DATA SEQUENCE VPFLEQCPIR GLYKERMTEL YDYPKYSCHF KKGKRYFYFY NTGLQNQRVL DATA SEQUENCE YVQDSLEGEA RVFLDPNILS DDGTVALRGY AFSEDGEYFA YGLSASGSDW DATA SEQUENCE VTIKFMKVDG AKELPDVLER VKFSCMAWTH DGKGMFYNAY PQQDGKSDGT DATA SEQUENCE ETSTNLHQKL YYHVLGTDQS EDILCAEFPD EPKWMGGAEL SDDGRYVLLS DATA SEQUENCE IREGCDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYQFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTVKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGFGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGSNGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG DATA SEQUENCE CSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH DDRVVPLHSL DATA SEQUENCE KFIATLQYIV GRSRKQNNPL LIHVDTKAGH GAGKPTAKVI EEVSDMFAFI DATA SEQUENCE ARCLNIDWIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.330 176.300 0.050 0.000 1.140 1 M CA 0.000 55.333 55.300 0.055 0.000 0.988 1 M CB 0.000 32.647 32.600 0.078 0.000 1.302 2 L N 2.843 124.007 121.223 -0.098 0.000 2.515 2 L HA 0.153 4.493 4.340 0.001 0.000 0.281 2 L C 1.154 177.772 176.870 -0.421 0.000 1.131 2 L CA 0.583 55.173 54.840 -0.417 0.000 0.905 2 L CB 0.087 41.737 42.059 -0.681 0.000 1.246 2 L HN 0.473 nan 8.230 nan 0.000 0.463 3 S N 2.175 117.716 115.700 -0.265 0.000 2.574 3 S HA 0.352 4.823 4.470 0.001 0.000 0.242 3 S C -0.058 174.507 174.600 -0.057 0.000 0.982 3 S CA -0.653 57.477 58.200 -0.117 0.000 0.977 3 S CB -0.537 62.676 63.200 0.023 0.000 0.814 3 S HN 0.294 nan 8.310 nan 0.000 0.464 4 F N -0.395 119.512 119.950 -0.071 0.000 2.620 4 F HA 0.809 5.337 4.527 0.001 0.000 0.320 4 F C -0.680 174.996 175.800 -0.207 0.000 1.069 4 F CA -1.336 56.601 58.000 -0.105 0.000 0.953 4 F CB 0.954 39.899 39.000 -0.091 0.000 1.322 4 F HN -0.089 nan 8.300 nan 0.000 0.479 5 Q N 0.846 120.704 119.800 0.098 0.000 2.353 5 Q HA 0.365 4.706 4.340 0.001 0.000 0.268 5 Q C -1.733 174.319 176.000 0.086 0.000 1.045 5 Q CA -1.091 54.696 55.803 -0.026 0.000 0.811 5 Q CB 2.365 31.106 28.738 0.005 0.000 1.305 5 Q HN 0.595 nan 8.270 nan 0.000 0.447 6 Y N 2.698 123.109 120.300 0.185 0.000 2.610 6 Y HA 0.061 4.611 4.550 0.001 0.000 0.332 6 Y C -1.578 174.363 175.900 0.068 0.000 1.201 6 Y CA -1.627 56.542 58.100 0.115 0.000 1.465 6 Y CB -0.311 38.201 38.460 0.087 0.000 1.283 6 Y HN 0.415 nan 8.280 nan 0.000 0.563 7 P HA 0.003 nan 4.420 nan 0.000 0.272 7 P C -0.777 176.620 177.300 0.162 0.000 1.230 7 P CA -0.307 62.864 63.100 0.118 0.000 0.788 7 P CB 0.880 32.590 31.700 0.016 0.000 0.949 8 D N 0.579 121.077 120.400 0.163 0.000 2.390 8 D HA 0.206 4.846 4.640 0.001 0.000 0.249 8 D C -0.226 176.236 176.300 0.270 0.000 1.144 8 D CA 0.276 54.397 54.000 0.201 0.000 0.880 8 D CB 0.725 41.626 40.800 0.167 0.000 1.182 8 D HN 0.007 nan 8.370 nan 0.000 0.451 9 V N 3.527 123.640 119.914 0.332 0.000 2.482 9 V HA 0.059 4.180 4.120 0.001 0.000 0.295 9 V C -0.444 175.959 176.094 0.516 0.000 1.026 9 V CA -1.082 61.515 62.300 0.496 0.000 0.856 9 V CB 1.251 33.356 31.823 0.470 0.000 1.001 9 V HN 0.413 nan 8.190 nan 0.000 0.424 10 Y N 5.416 125.953 120.300 0.396 0.000 2.610 10 Y HA 0.274 4.825 4.550 0.001 0.000 0.332 10 Y C 0.710 176.833 175.900 0.372 0.000 1.201 10 Y CA 0.146 58.376 58.100 0.216 0.000 1.465 10 Y CB 0.460 38.857 38.460 -0.104 0.000 1.283 10 Y HN 0.553 nan 8.280 nan 0.000 0.563 11 R N 4.627 124.729 120.500 -0.662 0.000 2.265 11 R HA 0.119 4.460 4.340 0.001 0.000 0.328 11 R C -1.164 174.607 176.300 -0.882 0.000 0.969 11 R CA -0.809 54.890 56.100 -0.669 0.000 0.832 11 R CB 0.622 30.541 30.300 -0.634 0.000 1.139 11 R HN 0.606 nan 8.270 nan 0.000 0.457 12 D N 3.147 123.296 120.400 -0.419 0.000 2.470 12 D HA -0.002 4.639 4.640 0.001 0.000 0.226 12 D C 0.490 176.688 176.300 -0.171 0.000 1.196 12 D CA 0.019 53.920 54.000 -0.165 0.000 0.979 12 D CB 0.744 41.634 40.800 0.150 0.000 1.059 12 D HN 0.396 nan 8.370 nan 0.000 0.515 13 E N 1.376 121.457 120.200 -0.199 0.000 2.472 13 E HA -0.095 4.255 4.350 0.001 0.000 0.200 13 E C 1.549 178.113 176.600 -0.060 0.000 1.046 13 E CA 0.593 56.912 56.400 -0.135 0.000 0.871 13 E CB -0.077 29.550 29.700 -0.122 0.000 0.806 13 E HN 0.599 nan 8.360 nan 0.000 0.533 14 T N -2.240 112.297 114.554 -0.029 0.000 3.065 14 T HA 0.254 4.604 4.350 0.001 0.000 0.252 14 T C 1.178 175.879 174.700 0.001 0.000 1.099 14 T CA 0.225 62.323 62.100 -0.005 0.000 1.063 14 T CB 0.142 69.018 68.868 0.013 0.000 0.948 14 T HN 0.054 nan 8.240 nan 0.000 0.506 15 A N 2.902 125.722 122.820 0.001 0.000 2.899 15 A HA 0.526 4.847 4.320 0.001 0.000 0.287 15 A C -0.011 177.584 177.584 0.017 0.000 1.715 15 A CA -0.394 51.652 52.037 0.015 0.000 1.393 15 A CB -0.935 18.079 19.000 0.024 0.000 1.070 15 A HN 0.543 nan 8.150 nan 0.000 0.587 16 I N 1.166 121.745 120.570 0.015 0.000 2.465 16 I HA 0.441 4.611 4.170 0.001 0.000 0.291 16 I C -0.026 176.094 176.117 0.005 0.000 1.014 16 I CA -0.293 61.022 61.300 0.025 0.000 1.093 16 I CB 1.518 39.525 38.000 0.012 0.000 1.267 16 I HN 0.720 nan 8.210 nan 0.000 0.431 17 Q N 3.347 123.161 119.800 0.023 0.000 2.375 17 Q HA 0.392 4.733 4.340 0.001 0.000 0.271 17 Q C -1.604 174.338 176.000 -0.098 0.000 1.074 17 Q CA -0.685 55.068 55.803 -0.085 0.000 0.808 17 Q CB 2.850 31.500 28.738 -0.147 0.000 1.327 17 Q HN 0.654 nan 8.270 nan 0.000 0.441 18 D N 1.847 122.112 120.400 -0.225 0.000 2.317 18 D HA 0.220 4.860 4.640 0.001 0.000 0.234 18 D C -1.660 174.376 176.300 -0.441 0.000 1.112 18 D CA -0.081 53.794 54.000 -0.208 0.000 0.840 18 D CB 0.488 41.185 40.800 -0.172 0.000 1.078 18 D HN 0.369 nan 8.370 nan 0.000 0.486 19 Y N 4.195 124.255 120.300 -0.399 0.000 2.593 19 Y HA 0.220 4.770 4.550 0.001 0.000 0.331 19 Y C 0.171 175.626 175.900 -0.742 0.000 0.986 19 Y CA -0.629 57.004 58.100 -0.779 0.000 1.262 19 Y CB 0.293 38.051 38.460 -1.169 0.000 1.098 19 Y HN 0.551 nan 8.280 nan 0.000 0.506 20 H N 1.780 120.693 119.070 -0.262 0.000 2.713 20 H HA -0.234 4.323 4.556 0.001 0.000 0.311 20 H C 1.441 176.699 175.328 -0.116 0.000 1.175 20 H CA 1.030 56.968 56.048 -0.183 0.000 1.143 20 H CB -1.452 28.196 29.762 -0.189 0.000 1.434 20 H HN 1.073 nan 8.280 nan 0.000 0.418 21 G N -0.618 108.146 108.800 -0.060 0.000 2.213 21 G HA2 -0.311 3.649 3.960 0.001 0.000 0.236 21 G HA3 -0.311 3.649 3.960 0.001 0.000 0.236 21 G C 0.013 174.928 174.900 0.026 0.000 0.991 21 G CA 0.479 45.572 45.100 -0.012 0.000 0.629 21 G HN 0.862 nan 8.290 nan 0.000 0.517 22 H N 1.704 120.726 119.070 -0.080 0.000 2.594 22 H HA 0.581 5.138 4.556 0.001 0.000 0.304 22 H C 0.094 175.432 175.328 0.016 0.000 1.068 22 H CA -0.702 55.343 56.048 -0.005 0.000 1.308 22 H CB 0.462 30.244 29.762 0.032 0.000 1.409 22 H HN -0.076 nan 8.280 nan 0.000 0.460 23 K N 4.720 125.204 120.400 0.140 0.000 2.297 23 K HA 0.218 4.539 4.320 0.001 0.000 0.286 23 K C -0.893 175.882 176.600 0.291 0.000 1.053 23 K CA -0.500 55.879 56.287 0.153 0.000 0.940 23 K CB 1.666 34.196 32.500 0.050 0.000 1.019 23 K HN 0.302 nan 8.250 nan 0.000 0.475 24 V N 3.391 123.485 119.914 0.300 0.000 2.487 24 V HA 0.206 4.327 4.120 0.001 0.000 0.298 24 V C -0.186 176.035 176.094 0.210 0.000 1.028 24 V CA -0.971 61.507 62.300 0.298 0.000 0.860 24 V CB 1.790 33.803 31.823 0.317 0.000 0.991 24 V HN 0.798 nan 8.190 nan 0.000 0.427 25 C N 3.202 122.602 119.300 0.167 0.000 2.369 25 C HA 0.499 4.960 4.460 0.001 0.000 0.358 25 C C 0.436 175.481 174.990 0.092 0.000 1.274 25 C CA -0.283 58.790 59.018 0.092 0.000 1.935 25 C CB 0.470 28.236 27.740 0.044 0.000 2.431 25 C HN 0.911 nan 8.230 nan 0.000 0.545 26 D N 3.045 123.472 120.400 0.046 0.000 2.607 26 D HA 0.258 4.899 4.640 0.001 0.000 0.318 26 D C -1.131 175.110 176.300 -0.100 0.000 1.212 26 D CA -1.433 52.580 54.000 0.022 0.000 0.861 26 D CB 0.703 41.560 40.800 0.094 0.000 1.064 26 D HN 0.308 nan 8.370 nan 0.000 0.500 27 P HA -0.160 nan 4.420 nan 0.000 0.221 27 P C 0.280 177.258 177.300 -0.536 0.000 1.145 27 P CA 0.897 63.705 63.100 -0.487 0.000 0.795 27 P CB 0.071 31.296 31.700 -0.791 0.000 0.775 28 Y N -1.200 118.993 120.300 -0.179 0.000 2.681 28 Y HA 0.510 5.061 4.550 0.001 0.000 0.267 28 Y C 2.247 177.808 175.900 -0.564 0.000 1.166 28 Y CA -0.546 57.237 58.100 -0.529 0.000 1.209 28 Y CB -0.909 37.218 38.460 -0.555 0.000 1.161 28 Y HN -0.069 nan 8.280 nan 0.000 0.534 29 A N 1.199 123.935 122.820 -0.139 0.000 1.978 29 A HA -0.184 4.136 4.320 0.001 0.000 0.220 29 A C 1.916 179.475 177.584 -0.042 0.000 1.170 29 A CA 1.640 53.644 52.037 -0.055 0.000 0.636 29 A CB -1.034 17.993 19.000 0.045 0.000 0.810 29 A HN 0.813 nan 8.150 nan 0.000 0.448 30 W N -0.379 120.924 121.300 0.004 0.000 2.387 30 W HA -0.070 4.590 4.660 0.001 0.000 0.272 30 W C 0.971 177.459 176.519 -0.053 0.000 1.224 30 W CA 0.670 58.011 57.345 -0.005 0.000 1.210 30 W CB -1.086 28.393 29.460 0.032 0.000 1.125 30 W HN 0.244 nan 8.180 nan 0.000 0.572 31 L N 1.208 122.093 121.223 -0.563 0.000 2.551 31 L HA -0.083 4.257 4.340 0.001 0.000 0.228 31 L C 2.171 178.860 176.870 -0.301 0.000 1.153 31 L CA 1.039 55.533 54.840 -0.576 0.000 0.851 31 L CB -0.522 40.958 42.059 -0.965 0.000 0.959 31 L HN -0.006 nan 8.230 nan 0.000 0.451 32 E N -0.610 119.465 120.200 -0.210 0.000 2.347 32 E HA -0.140 4.210 4.350 0.001 0.000 0.196 32 E C 0.419 176.937 176.600 -0.137 0.000 1.008 32 E CA 0.291 56.566 56.400 -0.209 0.000 0.852 32 E CB 0.091 29.711 29.700 -0.134 0.000 0.783 32 E HN 0.223 nan 8.360 nan 0.000 0.505 33 D N 0.644 121.017 120.400 -0.044 0.000 2.428 33 D HA 0.035 4.675 4.640 0.001 0.000 0.221 33 D C -1.601 174.697 176.300 -0.004 0.000 1.123 33 D CA -2.564 51.435 54.000 -0.002 0.000 0.869 33 D CB 1.118 41.952 40.800 0.056 0.000 1.032 33 D HN -0.102 nan 8.370 nan 0.000 0.506 34 P HA -0.062 nan 4.420 nan 0.000 0.223 34 P C 0.252 177.555 177.300 0.004 0.000 1.151 34 P CA 0.646 63.731 63.100 -0.025 0.000 0.787 34 P CB 0.620 32.289 31.700 -0.051 0.000 0.788 35 D N -0.178 120.228 120.400 0.011 0.000 2.349 35 D HA -0.002 4.638 4.640 0.001 0.000 0.215 35 D C 1.040 177.360 176.300 0.034 0.000 1.016 35 D CA 0.406 54.416 54.000 0.018 0.000 0.870 35 D CB 0.031 40.837 40.800 0.010 0.000 0.917 35 D HN 0.275 nan 8.370 nan 0.000 0.524 36 S N 0.590 116.322 115.700 0.054 0.000 2.592 36 S HA 0.091 4.562 4.470 0.001 0.000 0.271 36 S C 1.253 175.895 174.600 0.070 0.000 1.326 36 S CA -0.521 57.715 58.200 0.061 0.000 1.024 36 S CB 1.981 65.235 63.200 0.090 0.000 0.921 36 S HN -0.143 nan 8.310 nan 0.000 0.527 37 E N 1.673 121.900 120.200 0.045 0.000 2.153 37 E HA -0.156 4.195 4.350 0.001 0.000 0.194 37 E C 1.986 178.632 176.600 0.077 0.000 0.988 37 E CA 1.320 57.748 56.400 0.046 0.000 0.811 37 E CB -0.433 29.276 29.700 0.015 0.000 0.746 37 E HN 0.786 nan 8.360 nan 0.000 0.466 38 Q N -0.102 119.743 119.800 0.075 0.000 2.046 38 Q HA -0.067 4.274 4.340 0.001 0.000 0.200 38 Q C 2.217 178.442 176.000 0.375 0.000 0.975 38 Q CA 1.887 57.758 55.803 0.113 0.000 0.836 38 Q CB -0.438 28.240 28.738 -0.100 0.000 0.896 38 Q HN 0.169 nan 8.270 nan 0.000 0.428 39 T N 0.639 115.407 114.554 0.356 0.000 2.857 39 T HA -0.074 4.277 4.350 0.001 0.000 0.266 39 T C 1.489 176.341 174.700 0.254 0.000 1.048 39 T CA 1.056 63.340 62.100 0.308 0.000 1.139 39 T CB -0.067 68.892 68.868 0.150 0.000 0.874 39 T HN 0.196 nan 8.240 nan 0.000 0.455 40 K N 1.166 121.671 120.400 0.175 0.000 2.097 40 K HA 0.059 4.380 4.320 0.001 0.000 0.206 40 K C 2.637 179.325 176.600 0.146 0.000 1.049 40 K CA 1.127 57.492 56.287 0.130 0.000 0.933 40 K CB -0.225 32.326 32.500 0.084 0.000 0.717 40 K HN 0.269 nan 8.250 nan 0.000 0.442 41 A N 1.006 123.928 122.820 0.169 0.000 1.930 41 A HA -0.156 4.164 4.320 0.001 0.000 0.217 41 A C 1.960 179.659 177.584 0.192 0.000 1.175 41 A CA 0.984 53.111 52.037 0.150 0.000 0.627 41 A CB -0.617 18.463 19.000 0.133 0.000 0.815 41 A HN 0.352 nan 8.150 nan 0.000 0.443 42 F N 0.727 120.759 119.950 0.136 0.000 2.102 42 F HA -0.174 4.354 4.527 0.001 0.000 0.298 42 F C 2.216 178.046 175.800 0.049 0.000 1.105 42 F CA 2.114 60.188 58.000 0.124 0.000 1.239 42 F CB -0.286 38.808 39.000 0.157 0.000 0.991 42 F HN 0.032 nan 8.300 nan 0.000 0.474 43 V N 0.682 120.732 119.914 0.226 0.000 2.295 43 V HA -0.274 3.846 4.120 0.001 0.000 0.246 43 V C 2.463 178.539 176.094 -0.029 0.000 1.049 43 V CA 2.189 64.534 62.300 0.074 0.000 1.024 43 V CB -0.695 31.195 31.823 0.111 0.000 0.648 43 V HN 0.326 nan 8.190 nan 0.000 0.447 44 E N 0.280 120.487 120.200 0.012 0.000 2.085 44 E HA -0.222 4.128 4.350 0.001 0.000 0.194 44 E C 2.362 178.940 176.600 -0.036 0.000 0.994 44 E CA 1.626 58.027 56.400 0.000 0.000 0.801 44 E CB -0.465 29.250 29.700 0.026 0.000 0.743 44 E HN 0.583 nan 8.360 nan 0.000 0.453 45 A N 1.311 124.092 122.820 -0.066 0.000 1.930 45 A HA -0.190 4.130 4.320 0.001 0.000 0.217 45 A C 2.122 179.614 177.584 -0.154 0.000 1.175 45 A CA 1.157 53.140 52.037 -0.090 0.000 0.627 45 A CB -0.242 18.711 19.000 -0.080 0.000 0.815 45 A HN 0.115 nan 8.150 nan 0.000 0.443 46 Q N 0.032 119.675 119.800 -0.263 0.000 2.049 46 Q HA -0.116 4.224 4.340 0.001 0.000 0.198 46 Q C 1.735 177.647 176.000 -0.146 0.000 0.971 46 Q CA 1.369 57.008 55.803 -0.274 0.000 0.833 46 Q CB -0.581 27.912 28.738 -0.408 0.000 0.896 46 Q HN 0.627 nan 8.270 nan 0.000 0.434 47 N N 1.192 119.844 118.700 -0.081 0.000 2.223 47 N HA -0.149 4.591 4.740 0.001 0.000 0.185 47 N C 1.580 177.087 175.510 -0.006 0.000 1.016 47 N CA 0.943 54.003 53.050 0.017 0.000 0.863 47 N CB -0.181 38.337 38.487 0.051 0.000 0.983 47 N HN 0.254 nan 8.380 nan 0.000 0.429 48 K N 0.957 121.337 120.400 -0.033 0.000 2.152 48 K HA -0.087 4.234 4.320 0.001 0.000 0.206 48 K C 1.906 178.477 176.600 -0.049 0.000 1.048 48 K CA 1.084 57.356 56.287 -0.025 0.000 0.933 48 K CB 0.003 32.491 32.500 -0.019 0.000 0.721 48 K HN 0.363 nan 8.250 nan 0.000 0.447 49 I N -3.555 116.946 120.570 -0.115 0.000 2.867 49 I HA 0.008 4.178 4.170 0.001 0.000 0.265 49 I C 1.627 177.583 176.117 -0.268 0.000 1.162 49 I CA 0.481 61.646 61.300 -0.225 0.000 1.471 49 I CB -0.305 37.456 38.000 -0.398 0.000 1.123 49 I HN -0.134 nan 8.210 nan 0.000 0.440 50 T N 1.804 116.241 114.554 -0.196 0.000 2.737 50 T HA -0.061 4.289 4.350 0.001 0.000 0.265 50 T C 2.122 176.806 174.700 -0.027 0.000 1.038 50 T CA 1.764 63.790 62.100 -0.123 0.000 1.144 50 T CB -0.286 68.529 68.868 -0.088 0.000 0.866 50 T HN 0.195 nan 8.240 nan 0.000 0.434 51 V N 2.308 122.198 119.914 -0.041 0.000 2.255 51 V HA -0.128 3.993 4.120 0.001 0.000 0.247 51 V C -0.472 175.621 176.094 -0.002 0.000 1.051 51 V CA 1.834 64.103 62.300 -0.053 0.000 1.018 51 V CB -1.587 30.217 31.823 -0.031 0.000 0.641 51 V HN 0.368 nan 8.190 nan 0.000 0.445 52 P HA -0.151 nan 4.420 nan 0.000 0.218 52 P C 1.686 179.035 177.300 0.082 0.000 1.149 52 P CA 1.277 64.404 63.100 0.045 0.000 0.817 52 P CB -0.107 31.628 31.700 0.059 0.000 0.785 53 F N 0.213 120.155 119.950 -0.014 0.000 2.102 53 F HA -0.152 4.376 4.527 0.001 0.000 0.298 53 F C 1.877 177.712 175.800 0.058 0.000 1.105 53 F CA 1.521 59.548 58.000 0.046 0.000 1.239 53 F CB -0.747 38.274 39.000 0.034 0.000 0.991 53 F HN -0.255 nan 8.300 nan 0.000 0.474 54 L N -0.258 121.044 121.223 0.132 0.000 2.109 54 L HA -0.146 4.195 4.340 0.001 0.000 0.207 54 L C 2.061 178.903 176.870 -0.045 0.000 1.086 54 L CA 1.428 56.297 54.840 0.047 0.000 0.760 54 L CB -0.678 41.403 42.059 0.036 0.000 0.910 54 L HN 0.156 nan 8.230 nan 0.000 0.437 55 E N -0.516 119.658 120.200 -0.044 0.000 2.435 55 E HA -0.119 4.231 4.350 0.001 0.000 0.195 55 E C 2.041 178.605 176.600 -0.061 0.000 1.029 55 E CA 0.103 56.475 56.400 -0.048 0.000 0.865 55 E CB 0.132 29.813 29.700 -0.032 0.000 0.833 55 E HN 0.527 nan 8.360 nan 0.000 0.510 56 Q N 0.322 120.071 119.800 -0.086 0.000 2.084 56 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 56 Q C 1.253 177.200 176.000 -0.090 0.000 0.978 56 Q CA 1.052 56.803 55.803 -0.085 0.000 0.844 56 Q CB -0.225 28.454 28.738 -0.097 0.000 0.898 56 Q HN 0.367 nan 8.270 nan 0.000 0.426 57 C N 0.939 120.168 119.300 -0.118 0.000 2.499 57 C HA 0.277 4.737 4.460 0.001 0.000 0.386 57 C C -0.997 173.950 174.990 -0.072 0.000 1.293 57 C CA -1.972 56.992 59.018 -0.090 0.000 1.884 57 C CB 0.301 27.982 27.740 -0.099 0.000 2.509 57 C HN 0.296 nan 8.230 nan 0.000 0.566 58 P HA -0.177 nan 4.420 nan 0.000 0.226 58 P C 1.407 178.630 177.300 -0.129 0.000 1.146 58 P CA 1.120 64.168 63.100 -0.086 0.000 0.773 58 P CB -0.002 31.653 31.700 -0.076 0.000 0.772 59 I N -0.092 120.418 120.570 -0.099 0.000 2.454 59 I HA -0.217 3.953 4.170 0.001 0.000 0.254 59 I C 2.718 178.766 176.117 -0.116 0.000 1.156 59 I CA 1.080 62.306 61.300 -0.123 0.000 1.433 59 I CB -0.131 37.895 38.000 0.043 0.000 1.082 59 I HN -0.185 nan 8.210 nan 0.000 0.432 60 R N 0.466 120.932 120.500 -0.056 0.000 2.081 60 R HA -0.143 4.197 4.340 0.001 0.000 0.235 60 R C 2.217 178.497 176.300 -0.034 0.000 1.131 60 R CA 1.610 57.701 56.100 -0.014 0.000 0.960 60 R CB -0.615 29.673 30.300 -0.020 0.000 0.856 60 R HN 0.490 nan 8.270 nan 0.000 0.436 61 G N 0.906 109.649 108.800 -0.095 0.000 2.402 61 G HA2 -0.201 3.760 3.960 0.001 0.000 0.216 61 G HA3 -0.201 3.760 3.960 0.001 0.000 0.216 61 G C 1.466 176.246 174.900 -0.201 0.000 1.162 61 G CA 0.513 45.547 45.100 -0.111 0.000 0.777 61 G HN 0.224 nan 8.290 nan 0.000 0.539 62 L N -1.101 119.893 121.223 -0.382 0.000 2.046 62 L HA -0.070 4.270 4.340 0.001 0.000 0.208 62 L C 2.570 179.004 176.870 -0.726 0.000 1.077 62 L CA 1.251 55.660 54.840 -0.718 0.000 0.747 62 L CB -0.503 40.745 42.059 -1.352 0.000 0.896 62 L HN 0.264 nan 8.230 nan 0.000 0.432 63 Y N 1.053 120.960 120.300 -0.655 0.000 2.114 63 Y HA -0.314 4.236 4.550 0.001 0.000 0.284 63 Y C 2.784 178.642 175.900 -0.071 0.000 1.143 63 Y CA 1.977 59.947 58.100 -0.217 0.000 1.135 63 Y CB -0.128 38.349 38.460 0.029 0.000 0.980 63 Y HN 0.004 nan 8.280 nan 0.000 0.499 64 K N 0.372 120.859 120.400 0.146 0.000 2.074 64 K HA -0.300 4.020 4.320 0.001 0.000 0.209 64 K C 2.213 178.810 176.600 -0.005 0.000 1.048 64 K CA 2.069 58.419 56.287 0.104 0.000 0.926 64 K CB -0.340 32.203 32.500 0.072 0.000 0.713 64 K HN 0.542 nan 8.250 nan 0.000 0.444 65 E N -0.006 120.155 120.200 -0.065 0.000 2.072 65 E HA -0.235 4.116 4.350 0.001 0.000 0.191 65 E C 2.131 178.694 176.600 -0.061 0.000 0.985 65 E CA 0.974 57.337 56.400 -0.063 0.000 0.801 65 E CB 0.019 29.665 29.700 -0.091 0.000 0.750 65 E HN 0.114 nan 8.360 nan 0.000 0.452 66 R N 0.194 120.629 120.500 -0.109 0.000 2.092 66 R HA -0.089 4.252 4.340 0.001 0.000 0.231 66 R C 2.163 178.405 176.300 -0.097 0.000 1.119 66 R CA 1.469 57.514 56.100 -0.091 0.000 0.970 66 R CB -0.414 29.835 30.300 -0.085 0.000 0.864 66 R HN 0.244 nan 8.270 nan 0.000 0.440 67 M N -0.446 119.050 119.600 -0.173 0.000 2.099 67 M HA -0.075 4.405 4.480 0.001 0.000 0.262 67 M C 1.638 177.969 176.300 0.053 0.000 1.067 67 M CA 2.031 57.266 55.300 -0.110 0.000 1.124 67 M CB -0.570 31.966 32.600 -0.108 0.000 1.353 67 M HN 0.125 nan 8.290 nan 0.000 0.410 68 T N 0.404 114.989 114.554 0.051 0.000 2.788 68 T HA -0.142 4.209 4.350 0.001 0.000 0.268 68 T C 1.641 176.398 174.700 0.096 0.000 1.044 68 T CA 1.839 63.994 62.100 0.091 0.000 1.139 68 T CB -0.328 68.574 68.868 0.056 0.000 0.867 68 T HN 0.539 nan 8.240 nan 0.000 0.454 69 E N 0.727 120.968 120.200 0.068 0.000 2.028 69 E HA 0.007 4.357 4.350 0.001 0.000 0.191 69 E C 2.231 178.905 176.600 0.122 0.000 0.988 69 E CA 0.839 57.284 56.400 0.076 0.000 0.799 69 E CB -0.210 29.521 29.700 0.052 0.000 0.755 69 E HN 0.392 nan 8.360 nan 0.000 0.447 70 L N -0.208 121.098 121.223 0.139 0.000 2.156 70 L HA -0.119 4.221 4.340 0.001 0.000 0.208 70 L C 2.320 179.415 176.870 0.375 0.000 1.095 70 L CA 0.643 55.605 54.840 0.204 0.000 0.770 70 L CB -0.208 41.940 42.059 0.147 0.000 0.914 70 L HN 0.191 nan 8.230 nan 0.000 0.439 71 Y N 0.564 120.974 120.300 0.184 0.000 2.583 71 Y HA -0.066 4.485 4.550 0.001 0.000 0.293 71 Y C 0.929 176.881 175.900 0.087 0.000 1.157 71 Y CA -0.034 58.191 58.100 0.208 0.000 1.315 71 Y CB -0.263 38.246 38.460 0.082 0.000 1.021 71 Y HN 0.075 nan 8.280 nan 0.000 0.536 72 D N 1.211 121.687 120.400 0.128 0.000 2.508 72 D HA 0.083 4.723 4.640 0.001 0.000 0.224 72 D C -1.246 175.097 176.300 0.072 0.000 1.171 72 D CA 0.147 54.141 54.000 -0.011 0.000 1.006 72 D CB -1.122 39.699 40.800 0.036 0.000 1.073 72 D HN 0.327 nan 8.370 nan 0.000 0.513 73 Y N -0.032 120.215 120.300 -0.089 0.000 2.562 73 Y HA 0.640 5.190 4.550 0.001 0.000 0.345 73 Y C -2.937 172.927 175.900 -0.061 0.000 1.045 73 Y CA -2.892 55.186 58.100 -0.037 0.000 1.028 73 Y CB 0.683 39.147 38.460 0.008 0.000 1.297 73 Y HN -0.066 nan 8.280 nan 0.000 0.463 74 P HA 0.130 nan 4.420 nan 0.000 0.267 74 P C -1.413 175.941 177.300 0.091 0.000 1.205 74 P CA -0.015 63.137 63.100 0.086 0.000 0.765 74 P CB 1.016 32.891 31.700 0.291 0.000 0.828 75 K N 3.468 123.807 120.400 -0.100 0.000 2.483 75 K HA 0.424 4.745 4.320 0.001 0.000 0.256 75 K C -0.753 175.912 176.600 0.108 0.000 0.961 75 K CA -0.408 55.884 56.287 0.008 0.000 0.873 75 K CB 1.120 33.519 32.500 -0.169 0.000 1.107 75 K HN 0.375 nan 8.250 nan 0.000 0.432 76 Y N 0.236 120.699 120.300 0.272 0.000 2.487 76 Y HA 0.365 4.915 4.550 0.001 0.000 0.337 76 Y C 0.767 176.835 175.900 0.279 0.000 1.076 76 Y CA -0.669 57.609 58.100 0.297 0.000 1.115 76 Y CB 2.046 40.590 38.460 0.140 0.000 1.235 76 Y HN 0.583 nan 8.280 nan 0.000 0.468 77 S N 0.129 116.152 115.700 0.539 0.000 2.722 77 S HA 0.526 4.996 4.470 0.001 0.000 0.292 77 S C -0.441 174.401 174.600 0.403 0.000 1.135 77 S CA -0.880 57.591 58.200 0.452 0.000 1.003 77 S CB 0.880 64.420 63.200 0.568 0.000 1.067 77 S HN 0.702 nan 8.310 nan 0.000 0.546 78 C N 2.022 121.518 119.300 0.328 0.000 2.676 78 C HA 0.328 4.788 4.460 0.001 0.000 0.416 78 C C 0.876 175.964 174.990 0.163 0.000 1.299 78 C CA 0.017 59.156 59.018 0.202 0.000 2.048 78 C CB -1.380 26.487 27.740 0.211 0.000 2.713 78 C HN 0.885 nan 8.230 nan 0.000 0.624 79 H N 1.044 119.796 119.070 -0.529 0.000 2.679 79 H HA 0.497 5.054 4.556 0.001 0.000 0.369 79 H C -0.203 174.951 175.328 -0.290 0.000 1.178 79 H CA 0.664 56.365 56.048 -0.578 0.000 1.419 79 H CB 0.330 29.263 29.762 -1.382 0.000 1.458 79 H HN 0.562 nan 8.280 nan 0.000 0.605 80 F N -1.039 118.892 119.950 -0.032 0.000 2.615 80 F HA 0.456 4.983 4.527 0.001 0.000 0.312 80 F C -1.032 174.792 175.800 0.041 0.000 1.119 80 F CA -1.236 56.791 58.000 0.045 0.000 0.979 80 F CB 1.153 40.191 39.000 0.064 0.000 1.266 80 F HN 0.240 nan 8.300 nan 0.000 0.444 81 K N 2.779 123.214 120.400 0.058 0.000 2.156 81 K HA 0.536 4.857 4.320 0.001 0.000 0.271 81 K C -1.119 175.394 176.600 -0.145 0.000 0.995 81 K CA -0.826 55.294 56.287 -0.278 0.000 0.890 81 K CB 0.946 33.159 32.500 -0.479 0.000 1.073 81 K HN 0.634 nan 8.250 nan 0.000 0.454 82 K N 2.369 122.631 120.400 -0.231 0.000 2.578 82 K HA 0.283 4.604 4.320 0.001 0.000 0.250 82 K C 0.018 176.513 176.600 -0.174 0.000 0.955 82 K CA -0.202 55.929 56.287 -0.259 0.000 0.825 82 K CB 1.514 33.561 32.500 -0.756 0.000 1.151 82 K HN 0.950 nan 8.250 nan 0.000 0.432 83 G N 3.554 112.279 108.800 -0.125 0.000 2.556 83 G HA2 -0.382 3.578 3.960 0.001 0.000 0.283 83 G HA3 -0.382 3.578 3.960 0.001 0.000 0.283 83 G C 0.235 175.056 174.900 -0.132 0.000 1.177 83 G CA 0.205 45.249 45.100 -0.094 0.000 0.978 83 G HN 0.574 nan 8.290 nan 0.000 0.554 84 K N 1.073 121.401 120.400 -0.119 0.000 2.417 84 K HA 0.253 4.574 4.320 0.001 0.000 0.196 84 K C 1.105 177.587 176.600 -0.197 0.000 1.023 84 K CA 0.271 56.477 56.287 -0.134 0.000 1.122 84 K CB 0.373 32.825 32.500 -0.081 0.000 0.850 84 K HN 0.403 nan 8.250 nan 0.000 0.521 85 R N -0.219 120.117 120.500 -0.272 0.000 2.892 85 R HA 0.397 4.737 4.340 0.001 0.000 0.265 85 R C -1.101 174.853 176.300 -0.578 0.000 1.025 85 R CA -0.887 54.976 56.100 -0.396 0.000 0.982 85 R CB 1.113 31.106 30.300 -0.511 0.000 1.185 85 R HN -0.088 nan 8.270 nan 0.000 0.484 86 Y N 0.248 120.214 120.300 -0.558 0.000 2.446 86 Y HA 0.488 5.039 4.550 0.001 0.000 0.338 86 Y C -0.466 174.819 175.900 -1.025 0.000 1.055 86 Y CA -0.364 57.418 58.100 -0.530 0.000 1.101 86 Y CB 1.317 39.636 38.460 -0.235 0.000 1.221 86 Y HN 0.343 nan 8.280 nan 0.000 0.460 87 F N 1.551 121.034 119.950 -0.779 0.000 2.603 87 F HA 0.638 5.165 4.527 0.001 0.000 0.317 87 F C -1.050 174.188 175.800 -0.937 0.000 1.066 87 F CA -1.410 55.956 58.000 -1.056 0.000 0.941 87 F CB 1.964 40.036 39.000 -1.546 0.000 1.291 87 F HN 0.400 nan 8.300 nan 0.000 0.472 88 Y N -0.975 119.017 120.300 -0.513 0.000 2.573 88 Y HA 0.650 5.201 4.550 0.001 0.000 0.328 88 Y C -2.199 173.682 175.900 -0.032 0.000 1.170 88 Y CA -2.233 55.746 58.100 -0.203 0.000 1.078 88 Y CB 0.406 38.649 38.460 -0.362 0.000 1.341 88 Y HN 0.396 nan 8.280 nan 0.000 0.459 89 F N 3.074 123.274 119.950 0.417 0.000 2.379 89 F HA 0.625 5.152 4.527 0.001 0.000 0.332 89 F C -0.481 175.619 175.800 0.499 0.000 1.096 89 F CA -0.360 57.853 58.000 0.355 0.000 1.105 89 F CB 1.361 40.529 39.000 0.280 0.000 1.189 89 F HN 0.617 nan 8.300 nan 0.000 0.515 90 Y N 2.804 123.354 120.300 0.416 0.000 2.480 90 Y HA 0.361 4.911 4.550 0.001 0.000 0.329 90 Y C -1.843 174.105 175.900 0.079 0.000 1.127 90 Y CA -1.670 56.510 58.100 0.133 0.000 1.037 90 Y CB 1.382 39.852 38.460 0.017 0.000 1.320 90 Y HN 0.593 nan 8.280 nan 0.000 0.446 91 N N 2.981 121.391 118.700 -0.482 0.000 2.448 91 N HA 0.176 4.917 4.740 0.001 0.000 0.279 91 N C 0.483 175.455 175.510 -0.897 0.000 1.025 91 N CA 0.329 53.048 53.050 -0.550 0.000 0.898 91 N CB 2.021 40.330 38.487 -0.295 0.000 1.303 91 N HN 0.861 nan 8.380 nan 0.000 0.495 92 T N 0.300 114.311 114.554 -0.905 0.000 2.897 92 T HA 0.082 4.432 4.350 0.001 0.000 0.271 92 T C 1.170 175.668 174.700 -0.336 0.000 1.084 92 T CA 1.556 63.280 62.100 -0.627 0.000 1.123 92 T CB 0.092 68.759 68.868 -0.334 0.000 0.865 92 T HN 0.656 nan 8.240 nan 0.000 0.496 93 G N 0.811 109.395 108.800 -0.360 0.000 4.455 93 G HA2 0.043 4.003 3.960 0.001 0.000 0.182 93 G HA3 0.043 4.003 3.960 0.001 0.000 0.182 93 G C 0.540 175.233 174.900 -0.346 0.000 1.631 93 G CA -0.089 44.800 45.100 -0.352 0.000 0.878 93 G HN 0.423 nan 8.290 nan 0.000 0.295 94 L N 1.902 123.004 121.223 -0.201 0.000 3.014 94 L HA 0.384 4.725 4.340 0.001 0.000 0.263 94 L C 0.695 177.516 176.870 -0.082 0.000 1.207 94 L CA -0.133 54.638 54.840 -0.115 0.000 1.017 94 L CB 0.726 42.759 42.059 -0.043 0.000 1.360 94 L HN 0.243 nan 8.230 nan 0.000 0.560 95 Q N 0.382 120.109 119.800 -0.122 0.000 2.364 95 Q HA 0.022 4.362 4.340 0.001 0.000 0.267 95 Q C 0.593 176.564 176.000 -0.048 0.000 0.999 95 Q CA -0.255 55.498 55.803 -0.085 0.000 0.886 95 Q CB 0.830 29.501 28.738 -0.112 0.000 1.243 95 Q HN 0.171 nan 8.270 nan 0.000 0.415 96 N N 0.887 119.575 118.700 -0.020 0.000 2.149 96 N HA -0.125 4.616 4.740 0.001 0.000 0.188 96 N C -0.177 175.338 175.510 0.007 0.000 1.019 96 N CA 1.324 54.377 53.050 0.005 0.000 0.857 96 N CB 0.331 38.823 38.487 0.008 0.000 0.997 96 N HN 0.492 nan 8.380 nan 0.000 0.426 97 Q N 0.196 119.993 119.800 -0.005 0.000 2.372 97 Q HA 0.248 4.589 4.340 0.001 0.000 0.273 97 Q C -0.427 175.575 176.000 0.003 0.000 1.078 97 Q CA -0.584 55.223 55.803 0.007 0.000 0.806 97 Q CB 2.716 31.465 28.738 0.019 0.000 1.332 97 Q HN 0.334 nan 8.270 nan 0.000 0.435 98 R N -0.458 120.059 120.500 0.028 0.000 2.641 98 R HA 0.526 4.867 4.340 0.001 0.000 0.269 98 R C -0.414 175.986 176.300 0.166 0.000 1.074 98 R CA -0.437 55.710 56.100 0.078 0.000 1.133 98 R CB 0.250 30.622 30.300 0.120 0.000 1.029 98 R HN 0.192 nan 8.270 nan 0.000 0.488 99 V N 3.181 123.198 119.914 0.173 0.000 2.547 99 V HA 0.226 4.346 4.120 0.001 0.000 0.299 99 V C -0.323 175.805 176.094 0.058 0.000 1.040 99 V CA -1.107 61.225 62.300 0.054 0.000 0.913 99 V CB 1.487 33.231 31.823 -0.132 0.000 0.992 99 V HN 0.599 nan 8.190 nan 0.000 0.449 100 L N 5.283 126.394 121.223 -0.186 0.000 2.265 100 L HA 0.525 4.865 4.340 0.001 0.000 0.288 100 L C -0.947 175.621 176.870 -0.502 0.000 1.058 100 L CA 0.212 54.764 54.840 -0.479 0.000 0.809 100 L CB 0.251 42.005 42.059 -0.508 0.000 1.179 100 L HN 0.524 nan 8.230 nan 0.000 0.429 101 Y N 3.497 123.439 120.300 -0.597 0.000 2.496 101 Y HA 0.720 5.270 4.550 0.001 0.000 0.331 101 Y C -0.158 175.308 175.900 -0.722 0.000 1.140 101 Y CA -0.504 57.203 58.100 -0.654 0.000 1.166 101 Y CB 2.057 39.868 38.460 -1.081 0.000 1.249 101 Y HN 0.403 nan 8.280 nan 0.000 0.479 102 V N 2.739 122.394 119.914 -0.431 0.000 2.841 102 V HA 0.566 4.687 4.120 0.001 0.000 0.310 102 V C -1.740 174.100 176.094 -0.423 0.000 1.090 102 V CA -0.445 61.410 62.300 -0.741 0.000 0.930 102 V CB 1.967 33.272 31.823 -0.865 0.000 1.014 102 V HN 0.885 nan 8.190 nan 0.000 0.425 103 Q N 3.200 122.741 119.800 -0.432 0.000 2.379 103 Q HA 0.510 4.850 4.340 0.001 0.000 0.278 103 Q C -1.008 174.886 176.000 -0.177 0.000 1.068 103 Q CA -0.885 54.804 55.803 -0.190 0.000 0.816 103 Q CB 2.288 31.000 28.738 -0.043 0.000 1.387 103 Q HN 0.586 nan 8.270 nan 0.000 0.413 104 D N 1.039 121.375 120.400 -0.107 0.000 2.347 104 D HA -0.010 4.631 4.640 0.001 0.000 0.215 104 D C 0.176 176.490 176.300 0.024 0.000 0.976 104 D CA 1.249 55.204 54.000 -0.074 0.000 0.884 104 D CB 0.489 41.252 40.800 -0.063 0.000 0.915 104 D HN 0.629 nan 8.370 nan 0.000 0.526 105 S N -1.126 114.617 115.700 0.072 0.000 2.565 105 S HA 0.197 4.668 4.470 0.001 0.000 0.269 105 S C 0.323 174.923 174.600 -0.000 0.000 1.153 105 S CA -0.766 57.512 58.200 0.130 0.000 0.835 105 S CB 1.427 64.659 63.200 0.053 0.000 1.122 105 S HN -0.145 nan 8.310 nan 0.000 0.462 106 L N 1.268 122.384 121.223 -0.179 0.000 2.187 106 L HA 0.058 4.398 4.340 0.001 0.000 0.213 106 L C 2.086 178.849 176.870 -0.179 0.000 1.100 106 L CA 1.984 56.587 54.840 -0.395 0.000 0.765 106 L CB -0.935 40.845 42.059 -0.465 0.000 0.904 106 L HN 0.900 nan 8.230 nan 0.000 0.437 107 E N -1.603 118.534 120.200 -0.105 0.000 2.452 107 E HA 0.153 4.503 4.350 0.001 0.000 0.197 107 E C 1.113 177.674 176.600 -0.064 0.000 1.022 107 E CA 0.255 56.604 56.400 -0.086 0.000 0.890 107 E CB 0.024 29.685 29.700 -0.065 0.000 0.918 107 E HN 0.462 nan 8.360 nan 0.000 0.496 108 G N 1.616 110.389 108.800 -0.045 0.000 2.636 108 G HA2 -0.037 3.923 3.960 0.001 0.000 0.246 108 G HA3 -0.037 3.923 3.960 0.001 0.000 0.246 108 G C -0.377 174.505 174.900 -0.030 0.000 1.216 108 G CA -0.448 44.632 45.100 -0.033 0.000 0.854 108 G HN 0.078 nan 8.290 nan 0.000 0.572 109 E N 0.083 120.269 120.200 -0.024 0.000 2.376 109 E HA 0.398 4.748 4.350 0.001 0.000 0.266 109 E C 0.471 177.072 176.600 0.002 0.000 1.009 109 E CA -0.432 55.961 56.400 -0.013 0.000 0.902 109 E CB 0.542 30.236 29.700 -0.011 0.000 0.972 109 E HN 0.534 nan 8.360 nan 0.000 0.439 110 A N 4.902 127.742 122.820 0.033 0.000 2.279 110 A HA 0.555 4.875 4.320 0.001 0.000 0.303 110 A C -0.373 177.273 177.584 0.103 0.000 1.108 110 A CA -0.580 51.499 52.037 0.069 0.000 0.830 110 A CB 0.658 19.749 19.000 0.153 0.000 1.106 110 A HN 0.809 nan 8.150 nan 0.000 0.493 111 R N 0.262 120.823 120.500 0.103 0.000 2.740 111 R HA 0.615 4.955 4.340 0.001 0.000 0.273 111 R C -1.729 174.581 176.300 0.017 0.000 0.998 111 R CA -0.805 55.348 56.100 0.088 0.000 0.900 111 R CB 1.024 31.331 30.300 0.012 0.000 1.223 111 R HN 0.316 nan 8.270 nan 0.000 0.466 112 V N 3.243 123.089 119.914 -0.113 0.000 2.540 112 V HA -0.021 4.099 4.120 0.001 0.000 0.297 112 V C 0.438 176.392 176.094 -0.234 0.000 1.024 112 V CA 0.486 62.538 62.300 -0.415 0.000 1.105 112 V CB 0.132 31.751 31.823 -0.339 0.000 0.938 112 V HN 0.740 nan 8.190 nan 0.000 0.482 113 F N 5.661 125.351 119.950 -0.433 0.000 2.419 113 F HA 0.464 4.991 4.527 0.001 0.000 0.283 113 F C 0.304 175.917 175.800 -0.312 0.000 1.044 113 F CA 0.332 58.143 58.000 -0.315 0.000 1.376 113 F CB 0.600 39.428 39.000 -0.286 0.000 1.131 113 F HN 0.357 nan 8.300 nan 0.000 0.585 114 L N 1.289 122.277 121.223 -0.392 0.000 2.528 114 L HA 0.370 4.710 4.340 0.001 0.000 0.267 114 L C -1.897 174.816 176.870 -0.262 0.000 0.961 114 L CA -0.398 54.202 54.840 -0.401 0.000 0.866 114 L CB 1.228 43.043 42.059 -0.406 0.000 1.248 114 L HN -0.006 nan 8.230 nan 0.000 0.404 115 D N 6.198 126.462 120.400 -0.226 0.000 2.460 115 D HA 0.488 5.129 4.640 0.001 0.000 0.232 115 D C -2.059 174.187 176.300 -0.091 0.000 1.079 115 D CA -2.031 51.876 54.000 -0.155 0.000 0.864 115 D CB 2.169 42.872 40.800 -0.162 0.000 1.048 115 D HN 0.312 nan 8.370 nan 0.000 0.523 116 P HA -0.023 nan 4.420 nan 0.000 0.223 116 P C 1.070 178.365 177.300 -0.008 0.000 1.151 116 P CA 0.450 63.546 63.100 -0.006 0.000 0.787 116 P CB 0.346 32.066 31.700 0.033 0.000 0.788 117 N N 0.354 119.041 118.700 -0.021 0.000 2.205 117 N HA -0.126 4.615 4.740 0.001 0.000 0.186 117 N C 1.618 177.116 175.510 -0.020 0.000 1.015 117 N CA 1.265 54.303 53.050 -0.020 0.000 0.862 117 N CB -0.468 38.002 38.487 -0.030 0.000 0.986 117 N HN 0.340 nan 8.380 nan 0.000 0.429 118 I N -1.836 118.717 120.570 -0.029 0.000 3.564 118 I HA 0.033 4.204 4.170 0.001 0.000 0.294 118 I C 1.305 177.413 176.117 -0.015 0.000 1.289 118 I CA 0.476 61.760 61.300 -0.026 0.000 1.325 118 I CB -0.267 37.711 38.000 -0.037 0.000 1.039 118 I HN -0.070 nan 8.210 nan 0.000 0.474 119 L N 1.173 122.392 121.223 -0.007 0.000 2.509 119 L HA 0.200 4.541 4.340 0.001 0.000 0.222 119 L C 0.701 177.574 176.870 0.005 0.000 1.123 119 L CA 0.179 55.022 54.840 0.006 0.000 0.856 119 L CB -0.329 41.744 42.059 0.022 0.000 0.985 119 L HN 0.559 nan 8.230 nan 0.000 0.456 120 S N -3.663 112.037 115.700 0.000 0.000 2.552 120 S HA 0.243 4.713 4.470 0.001 0.000 0.272 120 S C -0.256 174.343 174.600 -0.002 0.000 1.150 120 S CA -0.824 57.376 58.200 -0.001 0.000 0.849 120 S CB 1.643 64.842 63.200 -0.001 0.000 1.113 120 S HN -0.100 nan 8.310 nan 0.000 0.458 121 D N 1.077 121.477 120.400 -0.001 0.000 2.144 121 D HA -0.005 4.635 4.640 0.001 0.000 0.200 121 D C 1.015 177.316 176.300 0.001 0.000 0.978 121 D CA 1.978 55.978 54.000 -0.001 0.000 0.833 121 D CB -0.057 40.744 40.800 0.001 0.000 0.961 121 D HN 0.794 nan 8.370 nan 0.000 0.470 122 D N -1.720 118.681 120.400 0.002 0.000 2.363 122 D HA 0.192 4.833 4.640 0.001 0.000 0.214 122 D C 1.249 177.553 176.300 0.006 0.000 1.093 122 D CA 0.300 54.303 54.000 0.005 0.000 0.837 122 D CB -0.180 40.623 40.800 0.006 0.000 0.948 122 D HN 0.113 nan 8.370 nan 0.000 0.507 123 G N 0.906 109.708 108.800 0.004 0.000 2.198 123 G HA2 -0.328 3.632 3.960 0.001 0.000 0.260 123 G HA3 -0.328 3.632 3.960 0.001 0.000 0.260 123 G C 0.916 175.821 174.900 0.008 0.000 1.025 123 G CA 0.907 46.011 45.100 0.007 0.000 0.769 123 G HN 0.599 nan 8.290 nan 0.000 0.507 124 T N -3.024 111.530 114.554 -0.000 0.000 3.169 124 T HA 0.491 4.841 4.350 0.001 0.000 0.250 124 T C 0.635 175.331 174.700 -0.006 0.000 1.111 124 T CA 0.440 62.534 62.100 -0.009 0.000 1.010 124 T CB 0.927 69.776 68.868 -0.033 0.000 0.984 124 T HN 0.572 nan 8.240 nan 0.000 0.537 125 V N 1.811 121.730 119.914 0.009 0.000 2.370 125 V HA 0.801 4.921 4.120 0.001 0.000 0.283 125 V C 0.076 176.194 176.094 0.039 0.000 1.023 125 V CA -0.859 61.455 62.300 0.023 0.000 0.857 125 V CB 0.830 32.669 31.823 0.027 0.000 0.985 125 V HN 0.663 nan 8.190 nan 0.000 0.443 126 A N 4.503 127.355 122.820 0.052 0.000 2.454 126 A HA 0.857 5.178 4.320 0.001 0.000 0.302 126 A C -1.023 176.618 177.584 0.095 0.000 1.079 126 A CA -0.774 51.301 52.037 0.064 0.000 0.731 126 A CB 1.536 20.566 19.000 0.051 0.000 1.299 126 A HN 0.808 nan 8.150 nan 0.000 0.413 127 L N 1.032 122.324 121.223 0.115 0.000 2.455 127 L HA 0.476 4.816 4.340 0.001 0.000 0.272 127 L C 0.583 177.535 176.870 0.137 0.000 1.174 127 L CA 0.753 55.695 54.840 0.169 0.000 0.869 127 L CB 0.255 42.439 42.059 0.209 0.000 1.130 127 L HN 0.682 nan 8.230 nan 0.000 0.474 128 R N 4.392 124.977 120.500 0.142 0.000 2.607 128 R HA 0.550 4.890 4.340 0.001 0.000 0.278 128 R C -0.639 175.726 176.300 0.108 0.000 1.637 128 R CA 0.182 56.346 56.100 0.106 0.000 1.325 128 R CB 0.376 30.720 30.300 0.073 0.000 1.211 128 R HN 1.034 nan 8.270 nan 0.000 0.565 129 G N 2.755 111.641 108.800 0.143 0.000 2.719 129 G HA2 -0.186 3.775 3.960 0.001 0.000 0.686 129 G HA3 -0.186 3.775 3.960 0.001 0.000 0.686 129 G C -1.469 173.542 174.900 0.184 0.000 1.201 129 G CA -0.271 44.881 45.100 0.086 0.000 0.768 129 G HN 0.729 nan 8.290 nan 0.000 0.629 130 Y N -2.379 117.955 120.300 0.057 0.000 2.702 130 Y HA 0.897 5.447 4.550 0.001 0.000 0.336 130 Y C -0.338 175.599 175.900 0.062 0.000 1.203 130 Y CA -0.977 57.105 58.100 -0.031 0.000 1.072 130 Y CB 0.836 39.335 38.460 0.065 0.000 1.327 130 Y HN 2.325 nan 8.280 nan 0.000 0.456 131 A N 1.851 124.777 122.820 0.177 0.000 2.513 131 A HA 0.705 5.025 4.320 0.001 0.000 0.296 131 A C -2.200 175.665 177.584 0.467 0.000 1.052 131 A CA -0.633 51.627 52.037 0.372 0.000 0.714 131 A CB 0.597 19.831 19.000 0.390 0.000 1.279 131 A HN 0.605 nan 8.150 nan 0.000 0.397 132 F N 1.738 121.942 119.950 0.422 0.000 2.377 132 F HA 0.530 5.057 4.527 0.001 0.000 0.328 132 F C 1.512 177.153 175.800 -0.266 0.000 1.094 132 F CA 0.356 58.458 58.000 0.171 0.000 1.093 132 F CB 1.776 40.840 39.000 0.106 0.000 1.214 132 F HN 0.676 nan 8.300 nan 0.000 0.518 133 S N 0.477 115.787 115.700 -0.649 0.000 2.589 133 S HA 0.033 4.504 4.470 0.001 0.000 0.265 133 S C 1.119 175.595 174.600 -0.206 0.000 1.342 133 S CA -0.480 57.187 58.200 -0.888 0.000 1.005 133 S CB 0.988 63.626 63.200 -0.936 0.000 0.909 133 S HN 0.721 nan 8.310 nan 0.000 0.555 134 E N 1.359 121.479 120.200 -0.134 0.000 2.130 134 E HA -0.234 4.117 4.350 0.001 0.000 0.196 134 E C 1.247 177.788 176.600 -0.098 0.000 0.998 134 E CA 2.093 58.389 56.400 -0.172 0.000 0.806 134 E CB -0.476 28.944 29.700 -0.467 0.000 0.738 134 E HN 0.875 nan 8.360 nan 0.000 0.459 135 D N -1.376 118.987 120.400 -0.062 0.000 2.349 135 D HA 0.057 4.697 4.640 0.001 0.000 0.224 135 D C 1.328 177.616 176.300 -0.019 0.000 1.029 135 D CA 0.843 54.828 54.000 -0.024 0.000 0.879 135 D CB -0.363 40.445 40.800 0.013 0.000 0.906 135 D HN 0.321 nan 8.370 nan 0.000 0.528 136 G N 0.439 109.230 108.800 -0.015 0.000 2.155 136 G HA2 -0.323 3.638 3.960 0.001 0.000 0.257 136 G HA3 -0.323 3.638 3.960 0.001 0.000 0.257 136 G C 0.869 175.812 174.900 0.070 0.000 0.983 136 G CA 0.459 45.573 45.100 0.022 0.000 0.676 136 G HN 0.391 nan 8.290 nan 0.000 0.528 137 E N -1.271 118.947 120.200 0.031 0.000 2.400 137 E HA 0.190 4.541 4.350 0.001 0.000 0.195 137 E C 0.233 176.668 176.600 -0.275 0.000 1.012 137 E CA 0.490 56.849 56.400 -0.069 0.000 0.875 137 E CB 0.319 29.991 29.700 -0.047 0.000 0.859 137 E HN 0.654 nan 8.360 nan 0.000 0.498 138 Y N -0.648 119.644 120.300 -0.013 0.000 2.536 138 Y HA 0.442 4.993 4.550 0.001 0.000 0.347 138 Y C -0.762 175.184 175.900 0.077 0.000 1.000 138 Y CA -1.266 56.842 58.100 0.014 0.000 1.051 138 Y CB 1.721 40.084 38.460 -0.163 0.000 1.259 138 Y HN -0.207 nan 8.280 nan 0.000 0.468 139 F N 1.945 122.043 119.950 0.247 0.000 2.561 139 F HA 0.839 5.366 4.527 0.001 0.000 0.313 139 F C -1.244 174.754 175.800 0.330 0.000 1.126 139 F CA -0.941 57.092 58.000 0.055 0.000 0.918 139 F CB 1.109 40.019 39.000 -0.151 0.000 1.199 139 F HN 0.518 nan 8.300 nan 0.000 0.444 140 A N 5.448 128.107 122.820 -0.268 0.000 2.337 140 A HA 0.790 5.110 4.320 0.001 0.000 0.329 140 A C -2.048 175.033 177.584 -0.838 0.000 1.146 140 A CA -0.482 51.159 52.037 -0.660 0.000 0.800 140 A CB 0.696 19.348 19.000 -0.580 0.000 1.220 140 A HN 0.981 nan 8.150 nan 0.000 0.472 141 Y N -0.511 119.292 120.300 -0.829 0.000 2.513 141 Y HA 0.734 5.285 4.550 0.001 0.000 0.340 141 Y C 0.045 175.774 175.900 -0.284 0.000 1.055 141 Y CA -1.083 56.707 58.100 -0.517 0.000 1.020 141 Y CB 0.836 39.027 38.460 -0.449 0.000 1.301 141 Y HN 0.835 nan 8.280 nan 0.000 0.453 142 G N 3.174 111.936 108.800 -0.064 0.000 2.367 142 G HA2 0.625 4.586 3.960 0.001 0.000 0.314 142 G HA3 0.625 4.586 3.960 0.001 0.000 0.314 142 G C -1.564 173.365 174.900 0.048 0.000 1.130 142 G CA -1.022 44.030 45.100 -0.080 0.000 0.864 142 G HN 0.743 nan 8.290 nan 0.000 0.486 143 L N 1.370 122.597 121.223 0.007 0.000 2.381 143 L HA 0.474 4.814 4.340 0.001 0.000 0.274 143 L C -0.154 176.749 176.870 0.055 0.000 0.988 143 L CA -0.639 54.242 54.840 0.069 0.000 0.824 143 L CB 2.325 44.427 42.059 0.072 0.000 1.263 143 L HN 0.431 nan 8.230 nan 0.000 0.410 144 S N 1.692 117.433 115.700 0.069 0.000 2.503 144 S HA 0.798 5.269 4.470 0.001 0.000 0.301 144 S C -0.322 174.311 174.600 0.054 0.000 1.087 144 S CA -0.634 57.609 58.200 0.072 0.000 1.042 144 S CB 2.043 65.288 63.200 0.075 0.000 1.043 144 S HN 0.657 nan 8.310 nan 0.000 0.489 145 A N 1.317 124.167 122.820 0.049 0.000 2.317 145 A HA 0.740 5.061 4.320 0.001 0.000 0.327 145 A C 0.627 178.184 177.584 -0.045 0.000 1.178 145 A CA -0.625 51.414 52.037 0.004 0.000 0.817 145 A CB 0.245 19.245 19.000 -0.001 0.000 1.189 145 A HN 1.191 nan 8.150 nan 0.000 0.489 146 S N 0.602 116.237 115.700 -0.107 0.000 3.521 146 S HA -0.174 4.297 4.470 0.001 0.000 0.328 146 S C 1.406 175.948 174.600 -0.097 0.000 1.165 146 S CA 1.858 59.925 58.200 -0.222 0.000 0.941 146 S CB -1.578 61.216 63.200 -0.677 0.000 0.951 146 S HN 2.808 nan 8.310 nan 0.000 0.539 147 G N -0.099 108.702 108.800 0.003 0.000 2.179 147 G HA2 -0.321 3.640 3.960 0.001 0.000 0.260 147 G HA3 -0.321 3.640 3.960 0.001 0.000 0.260 147 G C 0.167 175.135 174.900 0.113 0.000 0.977 147 G CA 0.806 45.945 45.100 0.066 0.000 0.641 147 G HN 1.495 nan 8.290 nan 0.000 0.533 148 S N -0.209 115.571 115.700 0.134 0.000 2.579 148 S HA 0.371 4.841 4.470 0.001 0.000 0.275 148 S C 1.331 175.977 174.600 0.077 0.000 1.345 148 S CA 0.457 58.755 58.200 0.164 0.000 1.031 148 S CB 0.657 64.023 63.200 0.278 0.000 0.892 148 S HN 0.190 nan 8.310 nan 0.000 0.529 149 D N 2.113 122.488 120.400 -0.042 0.000 2.269 149 D HA 0.001 4.642 4.640 0.001 0.000 0.208 149 D C -0.043 176.095 176.300 -0.270 0.000 0.963 149 D CA 0.369 54.252 54.000 -0.195 0.000 0.864 149 D CB -0.008 40.566 40.800 -0.377 0.000 0.936 149 D HN 0.601 nan 8.370 nan 0.000 0.505 150 W N 0.719 121.966 121.300 -0.090 0.000 2.193 150 W HA 0.147 4.808 4.660 0.001 0.000 0.338 150 W C 0.289 176.779 176.519 -0.048 0.000 1.310 150 W CA -0.269 57.030 57.345 -0.076 0.000 1.243 150 W CB 0.642 30.083 29.460 -0.031 0.000 1.165 150 W HN -0.372 nan 8.180 nan 0.000 0.566 151 V N 2.667 122.738 119.914 0.263 0.000 2.876 151 V HA 0.474 4.595 4.120 0.001 0.000 0.312 151 V C -0.269 175.876 176.094 0.085 0.000 1.085 151 V CA -0.952 61.422 62.300 0.122 0.000 0.945 151 V CB 2.395 34.252 31.823 0.057 0.000 1.017 151 V HN 0.407 nan 8.190 nan 0.000 0.428 152 T N 4.888 119.440 114.554 -0.003 0.000 2.786 152 T HA 0.615 4.965 4.350 0.001 0.000 0.283 152 T C -0.348 174.239 174.700 -0.188 0.000 0.992 152 T CA -0.128 61.925 62.100 -0.078 0.000 0.954 152 T CB 0.788 69.611 68.868 -0.076 0.000 0.934 152 T HN 0.373 nan 8.240 nan 0.000 0.440 153 I N 3.682 124.092 120.570 -0.266 0.000 2.365 153 I HA 0.404 4.574 4.170 0.001 0.000 0.291 153 I C 0.495 176.292 176.117 -0.532 0.000 1.004 153 I CA -0.522 60.503 61.300 -0.458 0.000 1.311 153 I CB 0.982 38.681 38.000 -0.501 0.000 1.401 153 I HN 0.348 nan 8.210 nan 0.000 0.491 154 K N 5.101 124.982 120.400 -0.865 0.000 2.352 154 K HA 0.719 5.040 4.320 0.001 0.000 0.240 154 K C -1.421 174.695 176.600 -0.806 0.000 1.017 154 K CA -0.711 55.154 56.287 -0.703 0.000 0.851 154 K CB 2.196 34.250 32.500 -0.743 0.000 1.261 154 K HN 0.218 nan 8.250 nan 0.000 0.451 155 F N 0.618 120.481 119.950 -0.145 0.000 2.588 155 F HA 0.554 5.082 4.527 0.001 0.000 0.314 155 F C -0.309 175.683 175.800 0.320 0.000 1.069 155 F CA -0.773 57.314 58.000 0.145 0.000 0.931 155 F CB 1.906 41.004 39.000 0.164 0.000 1.260 155 F HN 0.168 nan 8.300 nan 0.000 0.465 156 M N 1.579 121.551 119.600 0.620 0.000 2.531 156 M HA 0.348 4.829 4.480 0.001 0.000 0.286 156 M C -1.096 175.456 176.300 0.420 0.000 1.232 156 M CA -0.826 54.745 55.300 0.452 0.000 0.877 156 M CB 3.047 35.859 32.600 0.353 0.000 1.726 156 M HN 0.482 nan 8.290 nan 0.000 0.463 157 K N 1.225 121.758 120.400 0.221 0.000 2.227 157 K HA 0.400 4.720 4.320 0.001 0.000 0.280 157 K C 0.243 176.860 176.600 0.030 0.000 1.041 157 K CA -0.358 55.872 56.287 -0.095 0.000 0.905 157 K CB 1.347 33.776 32.500 -0.118 0.000 1.068 157 K HN 0.599 nan 8.250 nan 0.000 0.470 158 V N 2.395 122.319 119.914 0.017 0.000 2.295 158 V HA -0.200 3.920 4.120 0.001 0.000 0.246 158 V C 0.691 176.892 176.094 0.177 0.000 1.049 158 V CA 1.564 64.016 62.300 0.252 0.000 1.024 158 V CB -0.533 31.387 31.823 0.162 0.000 0.648 158 V HN 0.882 nan 8.190 nan 0.000 0.447 159 D N 0.152 120.563 120.400 0.018 0.000 2.349 159 D HA 0.356 4.997 4.640 0.001 0.000 0.266 159 D C 1.064 177.380 176.300 0.027 0.000 1.293 159 D CA 1.128 55.135 54.000 0.011 0.000 0.926 159 D CB 0.066 40.850 40.800 -0.027 0.000 1.090 159 D HN 0.437 nan 8.370 nan 0.000 0.502 160 G N 3.157 111.984 108.800 0.045 0.000 2.175 160 G HA2 -0.126 3.835 3.960 0.001 0.000 0.244 160 G HA3 -0.126 3.835 3.960 0.001 0.000 0.244 160 G C 0.777 175.688 174.900 0.017 0.000 0.982 160 G CA 0.342 45.458 45.100 0.026 0.000 0.641 160 G HN 1.669 nan 8.290 nan 0.000 0.527 161 A N -1.098 121.755 122.820 0.055 0.000 2.511 161 A HA -0.086 4.234 4.320 0.001 0.000 0.297 161 A C 0.809 178.344 177.584 -0.081 0.000 1.476 161 A CA 2.080 54.065 52.037 -0.086 0.000 0.757 161 A CB -1.112 17.735 19.000 -0.254 0.000 1.072 161 A HN 1.016 nan 8.150 nan 0.000 0.413 162 K N 1.262 121.663 120.400 0.003 0.000 2.297 162 K HA 0.292 4.612 4.320 0.001 0.000 0.286 162 K C 0.273 176.918 176.600 0.075 0.000 1.053 162 K CA -0.087 56.219 56.287 0.031 0.000 0.940 162 K CB 0.630 33.161 32.500 0.053 0.000 1.019 162 K HN 0.716 nan 8.250 nan 0.000 0.475 163 E N 2.971 123.211 120.200 0.067 0.000 2.344 163 E HA 0.141 4.492 4.350 0.001 0.000 0.270 163 E C -0.084 176.599 176.600 0.138 0.000 1.021 163 E CA -0.146 56.323 56.400 0.116 0.000 0.887 163 E CB 0.651 30.401 29.700 0.084 0.000 0.997 163 E HN 0.280 nan 8.360 nan 0.000 0.429 164 L N 4.115 125.455 121.223 0.195 0.000 2.352 164 L HA 0.286 4.626 4.340 0.001 0.000 0.269 164 L C -1.540 175.405 176.870 0.126 0.000 1.034 164 L CA -1.902 53.043 54.840 0.175 0.000 0.806 164 L CB 0.837 43.042 42.059 0.244 0.000 1.244 164 L HN 0.397 nan 8.230 nan 0.000 0.447 165 P HA -0.024 nan 4.420 nan 0.000 0.222 165 P C -0.628 176.684 177.300 0.021 0.000 1.153 165 P CA 0.403 63.526 63.100 0.039 0.000 0.798 165 P CB 0.008 31.718 31.700 0.017 0.000 0.796 166 D N -0.122 120.283 120.400 0.007 0.000 2.531 166 D HA 0.155 4.795 4.640 0.001 0.000 0.239 166 D C -0.281 176.033 176.300 0.024 0.000 1.144 166 D CA 0.711 54.675 54.000 -0.060 0.000 0.869 166 D CB 0.215 40.816 40.800 -0.331 0.000 1.160 166 D HN -0.115 nan 8.370 nan 0.000 0.484 167 V N 3.566 123.421 119.914 -0.098 0.000 2.668 167 V HA 0.328 4.449 4.120 0.001 0.000 0.304 167 V C -0.415 175.545 176.094 -0.223 0.000 1.071 167 V CA -0.839 61.392 62.300 -0.114 0.000 0.894 167 V CB 1.674 33.442 31.823 -0.092 0.000 1.008 167 V HN 0.380 nan 8.190 nan 0.000 0.425 168 L N 4.384 125.449 121.223 -0.263 0.000 2.325 168 L HA 0.678 5.018 4.340 0.001 0.000 0.281 168 L C -0.149 176.603 176.870 -0.197 0.000 1.004 168 L CA -0.511 54.124 54.840 -0.343 0.000 0.823 168 L CB 1.841 43.524 42.059 -0.626 0.000 1.236 168 L HN 0.546 nan 8.230 nan 0.000 0.415 169 E N 2.724 122.851 120.200 -0.121 0.000 2.243 169 E HA 0.458 4.809 4.350 0.001 0.000 0.260 169 E C -0.090 176.536 176.600 0.043 0.000 0.985 169 E CA -0.789 55.580 56.400 -0.052 0.000 0.858 169 E CB 1.517 31.170 29.700 -0.078 0.000 1.210 169 E HN 0.373 nan 8.360 nan 0.000 0.411 170 R N -1.150 119.388 120.500 0.065 0.000 3.770 170 R HA -0.129 4.211 4.340 0.001 0.000 0.305 170 R C -0.486 176.111 176.300 0.496 0.000 1.184 170 R CA 0.186 56.413 56.100 0.211 0.000 0.823 170 R CB -2.249 28.142 30.300 0.152 0.000 1.285 170 R HN 0.178 nan 8.270 nan 0.000 0.499 171 V N 1.057 121.219 119.914 0.415 0.000 2.465 171 V HA 0.461 4.581 4.120 0.001 0.000 0.279 171 V C 0.458 176.741 176.094 0.316 0.000 1.045 171 V CA -0.025 62.492 62.300 0.362 0.000 0.938 171 V CB 1.833 33.785 31.823 0.216 0.000 0.986 171 V HN 0.173 nan 8.190 nan 0.000 0.467 172 K N 3.599 124.107 120.400 0.180 0.000 2.569 172 K HA 0.410 4.730 4.320 0.001 0.000 0.259 172 K C -1.106 175.446 176.600 -0.080 0.000 0.932 172 K CA -0.779 55.379 56.287 -0.216 0.000 0.833 172 K CB 1.090 33.178 32.500 -0.688 0.000 1.340 172 K HN 0.322 nan 8.250 nan 0.000 0.429 173 F N -0.267 119.740 119.950 0.095 0.000 3.004 173 F HA -0.225 4.302 4.527 0.001 0.000 0.264 173 F C 0.177 176.031 175.800 0.091 0.000 0.979 173 F CA 0.856 58.907 58.000 0.085 0.000 0.896 173 F CB -1.990 37.075 39.000 0.108 0.000 0.813 173 F HN 0.318 nan 8.300 nan 0.000 0.804 174 S N -0.242 115.581 115.700 0.204 0.000 2.565 174 S HA 0.715 5.185 4.470 0.001 0.000 0.290 174 S C 0.388 175.080 174.600 0.153 0.000 1.150 174 S CA -0.311 57.995 58.200 0.176 0.000 1.058 174 S CB 0.944 64.259 63.200 0.191 0.000 1.032 174 S HN 0.605 nan 8.310 nan 0.000 0.510 175 C N 3.880 123.274 119.300 0.156 0.000 2.403 175 C HA 0.771 5.231 4.460 0.001 0.000 0.361 175 C C -0.073 175.027 174.990 0.183 0.000 1.274 175 C CA -0.861 58.248 59.018 0.151 0.000 2.433 175 C CB -0.503 27.326 27.740 0.147 0.000 2.323 175 C HN 0.821 nan 8.230 nan 0.000 0.614 176 M N 2.228 121.934 119.600 0.176 0.000 2.150 176 M HA 0.512 4.992 4.480 0.001 0.000 0.255 176 M C -0.693 175.752 176.300 0.241 0.000 0.963 176 M CA 0.032 55.434 55.300 0.170 0.000 1.033 176 M CB 1.730 34.379 32.600 0.082 0.000 2.007 176 M HN 1.030 nan 8.290 nan 0.000 0.462 177 A N 2.956 125.965 122.820 0.315 0.000 2.402 177 A HA 0.751 5.072 4.320 0.001 0.000 0.291 177 A C -2.016 175.868 177.584 0.499 0.000 1.051 177 A CA -0.437 51.863 52.037 0.438 0.000 0.716 177 A CB 0.852 20.120 19.000 0.447 0.000 1.223 177 A HN 0.834 nan 8.150 nan 0.000 0.425 178 W N 2.030 123.562 121.300 0.386 0.000 2.316 178 W HA 0.471 5.131 4.660 0.001 0.000 0.321 178 W C 1.011 177.789 176.519 0.432 0.000 1.203 178 W CA 0.303 57.863 57.345 0.359 0.000 1.214 178 W CB 1.256 30.889 29.460 0.288 0.000 1.169 178 W HN 0.739 nan 8.180 nan 0.000 0.561 179 T N -1.125 113.806 114.554 0.627 0.000 2.919 179 T HA 0.051 4.401 4.350 0.001 0.000 0.302 179 T C 0.809 175.842 174.700 0.556 0.000 1.031 179 T CA -0.275 62.146 62.100 0.536 0.000 1.127 179 T CB 0.598 69.686 68.868 0.367 0.000 0.952 179 T HN 0.573 nan 8.240 nan 0.000 0.540 180 H N 0.907 120.143 119.070 0.277 0.000 2.560 180 H HA -0.073 4.483 4.556 0.001 0.000 0.283 180 H C 1.388 176.820 175.328 0.174 0.000 1.028 180 H CA 0.881 57.059 56.048 0.216 0.000 1.221 180 H CB 0.218 30.085 29.762 0.176 0.000 1.363 180 H HN 0.776 nan 8.280 nan 0.000 0.594 181 D N -0.448 120.124 120.400 0.286 0.000 2.349 181 D HA -0.001 4.639 4.640 0.001 0.000 0.224 181 D C 1.746 178.154 176.300 0.181 0.000 1.029 181 D CA 0.702 54.817 54.000 0.192 0.000 0.879 181 D CB -0.273 40.618 40.800 0.150 0.000 0.906 181 D HN 0.341 nan 8.370 nan 0.000 0.528 182 G N 1.101 110.047 108.800 0.243 0.000 2.155 182 G HA2 -0.445 3.515 3.960 0.001 0.000 0.257 182 G HA3 -0.445 3.515 3.960 0.001 0.000 0.257 182 G C 0.945 175.981 174.900 0.226 0.000 0.983 182 G CA 0.750 45.991 45.100 0.234 0.000 0.676 182 G HN 0.547 nan 8.290 nan 0.000 0.528 183 K N -0.093 120.433 120.400 0.210 0.000 2.062 183 K HA 0.342 4.662 4.320 0.001 0.000 0.205 183 K C 1.465 178.059 176.600 -0.010 0.000 1.051 183 K CA 1.624 57.973 56.287 0.104 0.000 0.941 183 K CB -0.086 32.492 32.500 0.131 0.000 0.719 183 K HN 0.840 nan 8.250 nan 0.000 0.440 184 G N -0.320 108.481 108.800 0.002 0.000 2.619 184 G HA2 0.419 4.379 3.960 0.001 0.000 0.305 184 G HA3 0.419 4.379 3.960 0.001 0.000 0.305 184 G C -1.902 172.685 174.900 -0.523 0.000 1.330 184 G CA -0.736 44.042 45.100 -0.537 0.000 0.789 184 G HN 0.101 nan 8.290 nan 0.000 0.487 185 M N 0.058 119.169 119.600 -0.816 0.000 2.446 185 M HA 0.663 5.144 4.480 0.001 0.000 0.294 185 M C -1.592 174.637 176.300 -0.117 0.000 1.158 185 M CA -0.700 54.311 55.300 -0.481 0.000 0.899 185 M CB 2.005 34.072 32.600 -0.888 0.000 1.687 185 M HN 0.362 nan 8.290 nan 0.000 0.455 186 F N 3.986 124.099 119.950 0.273 0.000 2.389 186 F HA 0.542 5.070 4.527 0.001 0.000 0.337 186 F C -0.188 175.811 175.800 0.333 0.000 1.112 186 F CA 0.365 58.579 58.000 0.356 0.000 1.192 186 F CB 0.698 39.891 39.000 0.321 0.000 1.185 186 F HN 0.528 nan 8.300 nan 0.000 0.552 187 Y N -0.786 119.732 120.300 0.363 0.000 2.713 187 Y HA 0.545 5.096 4.550 0.001 0.000 0.335 187 Y C -2.028 174.019 175.900 0.245 0.000 1.222 187 Y CA -2.029 56.206 58.100 0.225 0.000 1.061 187 Y CB 0.786 39.324 38.460 0.129 0.000 1.314 187 Y HN 0.535 nan 8.280 nan 0.000 0.453 188 N N 0.617 119.391 118.700 0.123 0.000 2.370 188 N HA 0.857 5.597 4.740 0.001 0.000 0.303 188 N C -1.483 174.113 175.510 0.144 0.000 1.103 188 N CA -0.604 52.457 53.050 0.019 0.000 0.848 188 N CB 2.219 40.729 38.487 0.038 0.000 1.235 188 N HN 0.963 nan 8.380 nan 0.000 0.496 189 A N 1.070 123.955 122.820 0.109 0.000 2.572 189 A HA 0.617 4.937 4.320 0.001 0.000 0.295 189 A C -1.903 175.744 177.584 0.105 0.000 1.072 189 A CA -0.507 51.672 52.037 0.237 0.000 0.691 189 A CB 0.720 19.930 19.000 0.351 0.000 1.291 189 A HN 0.602 nan 8.150 nan 0.000 0.404 190 Y N 0.768 121.274 120.300 0.344 0.000 2.387 190 Y HA 0.511 5.061 4.550 0.001 0.000 0.330 190 Y C -2.015 174.050 175.900 0.274 0.000 1.133 190 Y CA -1.810 56.486 58.100 0.327 0.000 1.152 190 Y CB 1.136 39.836 38.460 0.401 0.000 1.215 190 Y HN 0.462 nan 8.280 nan 0.000 0.466 191 P HA 0.003 nan 4.420 nan 0.000 0.270 191 P C -0.791 176.632 177.300 0.206 0.000 1.223 191 P CA -0.343 62.908 63.100 0.251 0.000 0.785 191 P CB 0.517 32.343 31.700 0.211 0.000 0.923 192 Q N 1.412 121.283 119.800 0.118 0.000 2.349 192 Q HA 0.012 4.352 4.340 0.001 0.000 0.287 192 Q C 0.192 176.235 176.000 0.071 0.000 1.044 192 Q CA 0.822 56.663 55.803 0.064 0.000 0.918 192 Q CB 0.344 29.098 28.738 0.028 0.000 1.242 192 Q HN 0.509 nan 8.270 nan 0.000 0.405 193 Q N 0.428 120.254 119.800 0.044 0.000 2.421 193 Q HA 0.463 4.803 4.340 0.001 0.000 0.280 193 Q C -1.181 174.830 176.000 0.019 0.000 1.085 193 Q CA -0.999 54.836 55.803 0.052 0.000 0.807 193 Q CB 1.502 30.294 28.738 0.091 0.000 1.405 193 Q HN 0.260 nan 8.270 nan 0.000 0.419 194 D N 0.755 121.169 120.400 0.024 0.000 2.399 194 D HA 0.435 5.076 4.640 0.001 0.000 0.241 194 D C 0.827 177.132 176.300 0.008 0.000 1.133 194 D CA 1.976 55.983 54.000 0.011 0.000 0.890 194 D CB 0.922 41.732 40.800 0.016 0.000 1.201 194 D HN 0.915 nan 8.370 nan 0.000 0.432 195 G N 1.410 110.208 108.800 -0.004 0.000 2.632 195 G HA2 -0.224 3.736 3.960 0.001 0.000 0.224 195 G HA3 -0.224 3.736 3.960 0.001 0.000 0.224 195 G C -0.477 174.407 174.900 -0.026 0.000 1.341 195 G CA -0.571 44.526 45.100 -0.006 0.000 0.880 195 G HN 0.527 nan 8.290 nan 0.000 0.566 196 K N -0.309 120.078 120.400 -0.022 0.000 2.154 196 K HA 0.592 4.913 4.320 0.001 0.000 0.264 196 K C -0.057 176.500 176.600 -0.072 0.000 1.008 196 K CA 0.124 56.382 56.287 -0.049 0.000 0.937 196 K CB 1.133 33.618 32.500 -0.025 0.000 1.002 196 K HN 0.355 nan 8.250 nan 0.000 0.469 197 S N 1.831 117.408 115.700 -0.205 0.000 2.399 197 S HA 0.036 4.507 4.470 0.001 0.000 0.198 197 S C -0.674 173.589 174.600 -0.562 0.000 1.294 197 S CA -0.593 57.311 58.200 -0.493 0.000 1.237 197 S CB -0.007 62.638 63.200 -0.925 0.000 1.286 197 S HN 0.745 nan 8.310 nan 0.000 0.404 198 D N -0.293 120.058 120.400 -0.082 0.000 2.500 198 D HA 0.288 4.929 4.640 0.001 0.000 0.217 198 D C 1.237 177.740 176.300 0.338 0.000 1.159 198 D CA 0.484 54.539 54.000 0.092 0.000 0.828 198 D CB 0.075 40.923 40.800 0.079 0.000 1.039 198 D HN 0.478 nan 8.370 nan 0.000 0.512 199 G N 0.375 109.402 108.800 0.379 0.000 2.218 199 G HA2 -0.310 3.651 3.960 0.001 0.000 0.216 199 G HA3 -0.310 3.651 3.960 0.001 0.000 0.216 199 G C 1.168 176.108 174.900 0.066 0.000 0.994 199 G CA 0.611 45.893 45.100 0.304 0.000 0.637 199 G HN 0.595 nan 8.290 nan 0.000 0.505 200 T N -0.585 113.935 114.554 -0.056 0.000 3.044 200 T HA 0.372 4.723 4.350 0.001 0.000 0.250 200 T C 0.938 175.615 174.700 -0.039 0.000 1.081 200 T CA 1.044 63.051 62.100 -0.155 0.000 1.040 200 T CB 0.248 68.962 68.868 -0.257 0.000 0.962 200 T HN 0.785 nan 8.240 nan 0.000 0.506 201 E N 2.304 122.526 120.200 0.037 0.000 2.345 201 E HA 0.173 4.524 4.350 0.001 0.000 0.259 201 E C 0.433 177.075 176.600 0.069 0.000 1.117 201 E CA -0.038 56.395 56.400 0.055 0.000 0.913 201 E CB 1.236 30.991 29.700 0.090 0.000 1.057 201 E HN 0.279 nan 8.360 nan 0.000 0.432 202 T N -2.165 112.428 114.554 0.066 0.000 3.044 202 T HA 0.143 4.494 4.350 0.001 0.000 0.260 202 T C 0.173 174.983 174.700 0.183 0.000 1.019 202 T CA -0.380 61.775 62.100 0.091 0.000 0.921 202 T CB -0.174 68.686 68.868 -0.012 0.000 1.053 202 T HN 0.289 nan 8.240 nan 0.000 0.533 203 S N 2.911 118.698 115.700 0.145 0.000 2.593 203 S HA 0.150 4.621 4.470 0.001 0.000 0.300 203 S C 0.540 175.209 174.600 0.115 0.000 1.267 203 S CA -0.065 58.214 58.200 0.131 0.000 1.065 203 S CB 0.513 63.788 63.200 0.124 0.000 0.807 203 S HN 0.574 nan 8.310 nan 0.000 0.499 204 T N 2.996 117.602 114.554 0.087 0.000 2.930 204 T HA 0.082 4.432 4.350 0.001 0.000 0.306 204 T C -0.009 174.731 174.700 0.066 0.000 1.045 204 T CA -0.301 61.841 62.100 0.071 0.000 1.134 204 T CB -0.277 68.611 68.868 0.033 0.000 0.961 204 T HN 0.627 nan 8.240 nan 0.000 0.545 205 N N 4.506 123.241 118.700 0.059 0.000 2.485 205 N HA 0.523 5.264 4.740 0.001 0.000 0.243 205 N C -0.872 174.743 175.510 0.175 0.000 0.987 205 N CA -0.442 52.559 53.050 -0.081 0.000 0.940 205 N CB 0.889 39.128 38.487 -0.415 0.000 1.122 205 N HN 0.435 nan 8.380 nan 0.000 0.509 206 L N 0.955 122.321 121.223 0.238 0.000 2.303 206 L HA 0.492 4.832 4.340 0.001 0.000 0.256 206 L C 0.066 177.165 176.870 0.380 0.000 1.034 206 L CA -1.008 53.952 54.840 0.199 0.000 0.832 206 L CB 1.399 43.434 42.059 -0.041 0.000 1.403 206 L HN 0.632 nan 8.230 nan 0.000 0.419 207 H N -0.188 119.033 119.070 0.253 0.000 2.826 207 H HA -0.167 4.390 4.556 0.001 0.000 0.306 207 H C 0.135 175.544 175.328 0.136 0.000 1.235 207 H CA 0.503 56.662 56.048 0.185 0.000 1.150 207 H CB -0.853 28.996 29.762 0.144 0.000 1.409 207 H HN 0.603 nan 8.280 nan 0.000 0.420 208 Q N 1.137 120.999 119.800 0.105 0.000 2.337 208 Q HA 0.225 4.566 4.340 0.001 0.000 0.270 208 Q C -0.074 175.871 176.000 -0.091 0.000 1.002 208 Q CA 0.402 56.017 55.803 -0.314 0.000 0.888 208 Q CB 0.741 29.208 28.738 -0.452 0.000 1.222 208 Q HN 0.363 nan 8.270 nan 0.000 0.400 209 K N 2.496 122.801 120.400 -0.157 0.000 2.352 209 K HA 0.492 4.813 4.320 0.001 0.000 0.240 209 K C -1.328 175.075 176.600 -0.328 0.000 1.017 209 K CA -1.009 55.117 56.287 -0.269 0.000 0.851 209 K CB 1.268 33.526 32.500 -0.404 0.000 1.261 209 K HN 0.418 nan 8.250 nan 0.000 0.451 210 L N 1.776 122.756 121.223 -0.406 0.000 2.287 210 L HA 0.434 4.775 4.340 0.001 0.000 0.287 210 L C -1.670 174.971 176.870 -0.381 0.000 1.022 210 L CA -0.083 54.606 54.840 -0.251 0.000 0.814 210 L CB 0.400 42.413 42.059 -0.078 0.000 1.217 210 L HN 0.457 nan 8.230 nan 0.000 0.420 211 Y N 3.797 123.993 120.300 -0.172 0.000 2.598 211 Y HA 0.494 5.044 4.550 0.001 0.000 0.340 211 Y C -1.237 174.742 175.900 0.132 0.000 1.038 211 Y CA -0.389 57.640 58.100 -0.120 0.000 1.100 211 Y CB 1.786 39.984 38.460 -0.436 0.000 1.281 211 Y HN 0.510 nan 8.280 nan 0.000 0.488 212 Y N 1.459 121.916 120.300 0.261 0.000 2.326 212 Y HA 0.387 4.937 4.550 0.001 0.000 0.329 212 Y C -1.204 174.799 175.900 0.171 0.000 0.973 212 Y CA -1.147 56.994 58.100 0.068 0.000 1.162 212 Y CB 0.521 38.869 38.460 -0.186 0.000 1.147 212 Y HN 0.701 nan 8.280 nan 0.000 0.456 213 H N 4.903 123.788 119.070 -0.308 0.000 2.519 213 H HA 0.563 5.119 4.556 0.001 0.000 0.316 213 H C -1.349 173.565 175.328 -0.690 0.000 1.065 213 H CA -0.522 55.320 56.048 -0.343 0.000 1.264 213 H CB 0.908 30.518 29.762 -0.253 0.000 1.413 213 H HN 0.505 nan 8.280 nan 0.000 0.465 214 V N 7.173 126.486 119.914 -1.003 0.000 2.432 214 V HA 0.025 4.146 4.120 0.001 0.000 0.271 214 V C 0.268 175.760 176.094 -1.003 0.000 1.046 214 V CA -0.721 61.096 62.300 -0.806 0.000 0.945 214 V CB 0.626 32.211 31.823 -0.397 0.000 0.992 214 V HN 0.674 nan 8.190 nan 0.000 0.471 215 L N 5.357 126.154 121.223 -0.711 0.000 2.540 215 L HA 0.474 4.814 4.340 0.001 0.000 0.276 215 L C 1.194 177.835 176.870 -0.382 0.000 1.212 215 L CA 1.937 56.439 54.840 -0.564 0.000 0.893 215 L CB 0.322 42.179 42.059 -0.337 0.000 1.138 215 L HN 0.981 nan 8.230 nan 0.000 0.491 216 G N 1.628 110.252 108.800 -0.294 0.000 2.157 216 G HA2 -0.229 3.731 3.960 0.001 0.000 0.239 216 G HA3 -0.229 3.731 3.960 0.001 0.000 0.239 216 G C 0.225 175.039 174.900 -0.143 0.000 0.982 216 G CA 0.343 45.342 45.100 -0.167 0.000 0.650 216 G HN 1.068 nan 8.290 nan 0.000 0.527 217 T N -2.286 112.156 114.554 -0.185 0.000 2.910 217 T HA 0.674 5.025 4.350 0.001 0.000 0.287 217 T C -0.775 173.944 174.700 0.031 0.000 1.050 217 T CA -0.491 61.549 62.100 -0.100 0.000 1.011 217 T CB 2.618 71.392 68.868 -0.155 0.000 1.195 217 T HN -0.043 nan 8.240 nan 0.000 0.540 218 D N 0.686 121.098 120.400 0.020 0.000 2.313 218 D HA 0.160 4.800 4.640 0.001 0.000 0.247 218 D C 1.118 177.451 176.300 0.055 0.000 1.094 218 D CA -0.331 53.683 54.000 0.024 0.000 0.925 218 D CB 1.566 42.362 40.800 -0.007 0.000 1.188 218 D HN 0.788 nan 8.370 nan 0.000 0.430 219 Q N 0.869 120.659 119.800 -0.016 0.000 2.226 219 Q HA -0.169 4.171 4.340 0.001 0.000 0.204 219 Q C 1.477 177.465 176.000 -0.020 0.000 0.975 219 Q CA 1.414 57.190 55.803 -0.045 0.000 0.866 219 Q CB 0.124 28.772 28.738 -0.149 0.000 0.915 219 Q HN 0.505 nan 8.270 nan 0.000 0.440 220 S N -0.379 115.308 115.700 -0.023 0.000 2.469 220 S HA -0.135 4.335 4.470 0.001 0.000 0.238 220 S C 1.164 175.766 174.600 0.004 0.000 0.998 220 S CA 1.153 59.342 58.200 -0.020 0.000 0.957 220 S CB -0.074 63.116 63.200 -0.017 0.000 0.764 220 S HN 0.459 nan 8.310 nan 0.000 0.514 221 E N 0.986 121.198 120.200 0.020 0.000 2.474 221 E HA 0.090 4.440 4.350 0.001 0.000 0.194 221 E C -0.588 176.049 176.600 0.062 0.000 1.041 221 E CA -0.180 56.238 56.400 0.030 0.000 0.874 221 E CB 0.028 29.733 29.700 0.007 0.000 0.914 221 E HN 0.509 nan 8.360 nan 0.000 0.498 222 D N 1.122 121.576 120.400 0.091 0.000 2.506 222 D HA -0.030 4.610 4.640 0.001 0.000 0.234 222 D C 0.095 176.532 176.300 0.229 0.000 1.143 222 D CA 0.475 54.575 54.000 0.167 0.000 0.871 222 D CB 0.680 41.602 40.800 0.203 0.000 1.190 222 D HN -0.051 nan 8.370 nan 0.000 0.459 223 I N 2.223 122.965 120.570 0.287 0.000 2.395 223 I HA 0.077 4.247 4.170 0.001 0.000 0.289 223 I C 0.369 176.698 176.117 0.353 0.000 1.023 223 I CA -0.745 60.722 61.300 0.278 0.000 1.350 223 I CB 0.583 38.725 38.000 0.237 0.000 1.409 223 I HN 0.223 nan 8.210 nan 0.000 0.507 224 L N 7.085 128.456 121.223 0.248 0.000 2.278 224 L HA 0.244 4.585 4.340 0.001 0.000 0.287 224 L C 0.438 177.333 176.870 0.042 0.000 1.072 224 L CA 0.441 55.299 54.840 0.030 0.000 0.819 224 L CB 0.889 42.947 42.059 -0.001 0.000 1.176 224 L HN 0.738 nan 8.230 nan 0.000 0.435 225 C N 3.806 123.138 119.300 0.052 0.000 2.700 225 C HA 0.743 5.203 4.460 0.001 0.000 0.297 225 C C 0.850 176.017 174.990 0.294 0.000 1.293 225 C CA 0.130 59.273 59.018 0.210 0.000 1.756 225 C CB -0.757 27.224 27.740 0.401 0.000 2.210 225 C HN 0.905 nan 8.230 nan 0.000 0.553 226 A N 1.082 123.928 122.820 0.044 0.000 2.540 226 A HA 0.668 4.988 4.320 0.001 0.000 0.297 226 A C -1.138 176.128 177.584 -0.531 0.000 1.056 226 A CA -0.369 51.590 52.037 -0.130 0.000 0.700 226 A CB 0.976 19.881 19.000 -0.159 0.000 1.280 226 A HN 0.494 nan 8.150 nan 0.000 0.398 227 E N 0.307 120.056 120.200 -0.753 0.000 2.392 227 E HA 0.729 5.079 4.350 0.001 0.000 0.279 227 E C -1.889 174.142 176.600 -0.950 0.000 0.964 227 E CA -0.846 55.070 56.400 -0.806 0.000 0.777 227 E CB 1.454 30.952 29.700 -0.336 0.000 1.249 227 E HN 0.424 nan 8.360 nan 0.000 0.449 228 F N 1.288 121.262 119.950 0.040 0.000 2.622 228 F HA 0.334 4.861 4.527 0.001 0.000 0.338 228 F C -1.891 173.886 175.800 -0.040 0.000 1.334 228 F CA -2.042 55.944 58.000 -0.024 0.000 1.179 228 F CB 1.352 40.335 39.000 -0.029 0.000 1.471 228 F HN 0.357 nan 8.300 nan 0.000 0.576 229 P HA -0.152 nan 4.420 nan 0.000 0.219 229 P C 0.483 177.844 177.300 0.102 0.000 1.146 229 P CA 1.455 64.637 63.100 0.137 0.000 0.808 229 P CB 0.482 32.204 31.700 0.037 0.000 0.779 230 D N -0.389 119.999 120.400 -0.020 0.000 2.340 230 D HA 0.026 4.666 4.640 0.001 0.000 0.220 230 D C 0.372 176.540 176.300 -0.220 0.000 1.039 230 D CA 0.733 54.680 54.000 -0.088 0.000 0.866 230 D CB 0.204 40.944 40.800 -0.100 0.000 0.913 230 D HN 0.242 nan 8.370 nan 0.000 0.523 231 E N 0.259 120.263 120.200 -0.328 0.000 3.132 231 E HA 0.162 4.512 4.350 0.001 0.000 0.241 231 E C -2.027 174.352 176.600 -0.368 0.000 1.196 231 E CA -1.524 54.526 56.400 -0.583 0.000 0.869 231 E CB 1.892 30.621 29.700 -1.618 0.000 1.387 231 E HN -0.044 nan 8.360 nan 0.000 0.393 232 P HA -0.156 nan 4.420 nan 0.000 0.218 232 P C 0.950 178.079 177.300 -0.284 0.000 1.146 232 P CA 1.290 64.060 63.100 -0.549 0.000 0.813 232 P CB 0.368 31.724 31.700 -0.574 0.000 0.778 233 K N -3.087 117.223 120.400 -0.150 0.000 2.379 233 K HA -0.005 4.315 4.320 0.001 0.000 0.194 233 K C 0.224 176.960 176.600 0.227 0.000 1.031 233 K CA -0.053 56.223 56.287 -0.018 0.000 1.037 233 K CB -0.018 32.454 32.500 -0.046 0.000 0.824 233 K HN 0.141 nan 8.250 nan 0.000 0.516 234 W N 1.786 123.038 121.300 -0.079 0.000 2.181 234 W HA 0.149 4.809 4.660 0.001 0.000 0.335 234 W C 0.154 176.629 176.519 -0.073 0.000 1.310 234 W CA -0.143 57.099 57.345 -0.171 0.000 1.226 234 W CB -0.032 29.165 29.460 -0.438 0.000 1.155 234 W HN -0.081 nan 8.180 nan 0.000 0.565 235 M N 3.184 122.813 119.600 0.049 0.000 2.151 235 M HA 0.398 4.878 4.480 0.001 0.000 0.290 235 M C 0.331 176.612 176.300 -0.031 0.000 0.965 235 M CA -0.389 54.958 55.300 0.079 0.000 0.930 235 M CB 1.941 34.588 32.600 0.078 0.000 1.560 235 M HN 0.493 nan 8.290 nan 0.000 0.438 236 G N 1.722 110.577 108.800 0.092 0.000 2.415 236 G HA2 0.645 4.606 3.960 0.001 0.000 0.317 236 G HA3 0.645 4.606 3.960 0.001 0.000 0.317 236 G C -0.316 174.566 174.900 -0.029 0.000 1.152 236 G CA -0.535 44.548 45.100 -0.029 0.000 0.956 236 G HN 0.824 nan 8.290 nan 0.000 0.458 237 G N 0.497 109.263 108.800 -0.057 0.000 2.356 237 G HA2 0.708 4.668 3.960 0.001 0.000 0.322 237 G HA3 0.708 4.668 3.960 0.001 0.000 0.322 237 G C -0.086 174.799 174.900 -0.026 0.000 1.125 237 G CA 0.002 45.099 45.100 -0.005 0.000 0.885 237 G HN 0.971 nan 8.290 nan 0.000 0.467 238 A N 1.932 124.750 122.820 -0.004 0.000 2.306 238 A HA 0.912 5.232 4.320 0.001 0.000 0.330 238 A C -0.064 177.562 177.584 0.070 0.000 1.146 238 A CA -0.683 51.329 52.037 -0.041 0.000 0.827 238 A CB 1.146 19.970 19.000 -0.293 0.000 1.178 238 A HN 0.928 nan 8.150 nan 0.000 0.490 239 E N 1.235 121.488 120.200 0.088 0.000 2.375 239 E HA 0.490 4.840 4.350 0.001 0.000 0.280 239 E C -1.834 174.861 176.600 0.158 0.000 0.972 239 E CA -0.910 55.591 56.400 0.169 0.000 0.782 239 E CB 0.973 30.776 29.700 0.172 0.000 1.229 239 E HN 0.349 nan 8.360 nan 0.000 0.439 240 L N 2.629 123.992 121.223 0.235 0.000 2.334 240 L HA 0.313 4.654 4.340 0.001 0.000 0.277 240 L C 0.725 177.647 176.870 0.088 0.000 1.075 240 L CA -0.261 54.693 54.840 0.190 0.000 0.804 240 L CB 1.287 43.510 42.059 0.272 0.000 1.174 240 L HN 0.891 nan 8.230 nan 0.000 0.438 241 S N 1.167 116.867 115.700 0.001 0.000 2.576 241 S HA 0.021 4.491 4.470 0.001 0.000 0.272 241 S C 0.790 175.472 174.600 0.138 0.000 1.352 241 S CA -0.582 57.584 58.200 -0.055 0.000 1.021 241 S CB 0.734 64.015 63.200 0.134 0.000 0.887 241 S HN 0.554 nan 8.310 nan 0.000 0.542 242 D N 1.321 121.898 120.400 0.295 0.000 2.182 242 D HA -0.113 4.527 4.640 0.001 0.000 0.201 242 D C 1.247 177.697 176.300 0.250 0.000 0.986 242 D CA 1.699 55.876 54.000 0.296 0.000 0.847 242 D CB -0.448 40.486 40.800 0.223 0.000 0.942 242 D HN 0.886 nan 8.370 nan 0.000 0.467 243 D N -1.256 119.220 120.400 0.127 0.000 2.340 243 D HA 0.121 4.761 4.640 0.001 0.000 0.220 243 D C 1.565 177.851 176.300 -0.024 0.000 1.039 243 D CA 0.719 54.776 54.000 0.095 0.000 0.866 243 D CB -0.272 40.571 40.800 0.072 0.000 0.913 243 D HN 0.171 nan 8.370 nan 0.000 0.523 244 G N 1.057 109.651 108.800 -0.344 0.000 2.168 244 G HA2 -0.451 3.509 3.960 0.001 0.000 0.263 244 G HA3 -0.451 3.509 3.960 0.001 0.000 0.263 244 G C 1.129 175.905 174.900 -0.206 0.000 0.977 244 G CA 0.511 45.177 45.100 -0.723 0.000 0.659 244 G HN 0.518 nan 8.290 nan 0.000 0.533 245 R N -1.028 119.428 120.500 -0.075 0.000 2.127 245 R HA 0.229 4.569 4.340 0.001 0.000 0.217 245 R C 0.191 176.352 176.300 -0.232 0.000 1.074 245 R CA 0.803 56.806 56.100 -0.162 0.000 0.991 245 R CB 0.043 30.195 30.300 -0.247 0.000 0.895 245 R HN 0.431 nan 8.270 nan 0.000 0.450 246 Y N -0.776 119.575 120.300 0.085 0.000 2.446 246 Y HA 0.389 4.939 4.550 0.001 0.000 0.345 246 Y C -0.466 175.505 175.900 0.119 0.000 0.984 246 Y CA -1.153 57.031 58.100 0.140 0.000 1.058 246 Y CB 2.076 40.667 38.460 0.218 0.000 1.220 246 Y HN -0.353 nan 8.280 nan 0.000 0.455 247 V N 4.827 124.922 119.914 0.301 0.000 2.394 247 V HA 0.348 4.469 4.120 0.001 0.000 0.282 247 V C -0.288 176.015 176.094 0.347 0.000 1.031 247 V CA -0.765 61.669 62.300 0.224 0.000 0.881 247 V CB 0.959 32.833 31.823 0.085 0.000 0.982 247 V HN 0.551 nan 8.190 nan 0.000 0.451 248 L N 5.847 127.213 121.223 0.238 0.000 2.296 248 L HA 0.551 4.891 4.340 0.001 0.000 0.286 248 L C -0.634 176.328 176.870 0.152 0.000 1.023 248 L CA -0.608 54.378 54.840 0.243 0.000 0.812 248 L CB 1.597 43.741 42.059 0.142 0.000 1.223 248 L HN 0.444 nan 8.230 nan 0.000 0.421 249 L N 2.841 124.118 121.223 0.090 0.000 2.280 249 L HA 0.421 4.761 4.340 0.001 0.000 0.287 249 L C -0.215 176.515 176.870 -0.232 0.000 1.023 249 L CA 0.345 55.070 54.840 -0.191 0.000 0.819 249 L CB 1.626 43.292 42.059 -0.656 0.000 1.212 249 L HN 0.478 nan 8.230 nan 0.000 0.420 250 S N 6.404 121.997 115.700 -0.179 0.000 2.448 250 S HA 0.577 5.047 4.470 0.001 0.000 0.320 250 S C -0.183 174.253 174.600 -0.274 0.000 1.071 250 S CA -0.350 57.747 58.200 -0.172 0.000 1.113 250 S CB 0.247 63.430 63.200 -0.029 0.000 0.972 250 S HN 0.463 nan 8.310 nan 0.000 0.465 251 I N 4.076 124.381 120.570 -0.441 0.000 2.331 251 I HA 0.424 4.595 4.170 0.001 0.000 0.292 251 I C 0.473 176.415 176.117 -0.292 0.000 0.998 251 I CA -0.410 60.570 61.300 -0.533 0.000 1.267 251 I CB 0.936 38.320 38.000 -1.027 0.000 1.386 251 I HN 0.323 nan 8.210 nan 0.000 0.476 252 R N 4.599 124.944 120.500 -0.259 0.000 2.778 252 R HA 0.587 4.927 4.340 0.001 0.000 0.277 252 R C -0.759 175.306 176.300 -0.392 0.000 0.977 252 R CA -0.889 55.063 56.100 -0.247 0.000 0.950 252 R CB 2.419 32.629 30.300 -0.151 0.000 1.165 252 R HN 0.543 nan 8.270 nan 0.000 0.474 253 E N 1.082 120.926 120.200 -0.593 0.000 2.432 253 E HA 0.357 4.708 4.350 0.001 0.000 0.272 253 E C -0.744 175.661 176.600 -0.325 0.000 0.937 253 E CA -0.179 55.943 56.400 -0.463 0.000 0.812 253 E CB 1.098 30.368 29.700 -0.716 0.000 1.377 253 E HN 0.857 nan 8.360 nan 0.000 0.399 254 G N 1.469 110.199 108.800 -0.118 0.000 2.526 254 G HA2 -0.225 3.735 3.960 0.001 0.000 0.250 254 G HA3 -0.225 3.735 3.960 0.001 0.000 0.250 254 G C 0.274 175.165 174.900 -0.016 0.000 1.289 254 G CA -0.312 44.767 45.100 -0.035 0.000 0.947 254 G HN 0.548 nan 8.290 nan 0.000 0.517 255 C N 0.720 120.066 119.300 0.076 0.000 3.038 255 C HA 0.374 4.834 4.460 0.001 0.000 0.279 255 C C 0.685 175.731 174.990 0.093 0.000 1.276 255 C CA -0.403 58.692 59.018 0.130 0.000 1.697 255 C CB -1.098 26.857 27.740 0.359 0.000 2.032 255 C HN 0.613 nan 8.230 nan 0.000 0.636 256 D N 2.898 123.326 120.400 0.047 0.000 2.399 256 D HA 0.114 4.754 4.640 0.001 0.000 0.241 256 D C -1.984 174.338 176.300 0.037 0.000 1.133 256 D CA -0.978 53.063 54.000 0.069 0.000 0.890 256 D CB 0.614 41.431 40.800 0.029 0.000 1.201 256 D HN 0.172 nan 8.370 nan 0.000 0.432 257 P HA 0.066 nan 4.420 nan 0.000 0.238 257 P C -0.769 176.554 177.300 0.038 0.000 1.794 257 P CA -0.188 62.951 63.100 0.064 0.000 1.088 257 P CB -0.124 31.656 31.700 0.134 0.000 1.923 258 V N 0.195 120.123 119.914 0.022 0.000 3.178 258 V HA 0.784 4.904 4.120 0.001 0.000 0.302 258 V C -1.329 174.811 176.094 0.077 0.000 1.262 258 V CA -1.024 61.298 62.300 0.038 0.000 1.030 258 V CB 2.850 34.710 31.823 0.062 0.000 1.074 258 V HN 0.530 nan 8.190 nan 0.000 0.438 259 N N 0.841 119.621 118.700 0.133 0.000 2.935 259 N HA 0.380 5.121 4.740 0.001 0.000 0.248 259 N C -1.403 174.109 175.510 0.003 0.000 1.276 259 N CA -0.900 52.211 53.050 0.102 0.000 0.906 259 N CB 2.217 40.715 38.487 0.019 0.000 1.564 259 N HN 0.834 nan 8.380 nan 0.000 0.500 260 R N 0.160 120.501 120.500 -0.264 0.000 2.560 260 R HA 0.451 4.791 4.340 0.001 0.000 0.270 260 R C -0.613 175.490 176.300 -0.329 0.000 1.074 260 R CA -0.732 55.109 56.100 -0.431 0.000 1.140 260 R CB 0.797 30.609 30.300 -0.813 0.000 1.073 260 R HN 0.463 nan 8.270 nan 0.000 0.527 261 L N 3.287 124.380 121.223 -0.216 0.000 2.406 261 L HA 0.392 4.732 4.340 0.001 0.000 0.270 261 L C -1.777 175.154 176.870 0.102 0.000 0.982 261 L CA -0.335 54.431 54.840 -0.123 0.000 0.843 261 L CB 1.141 43.091 42.059 -0.182 0.000 1.225 261 L HN 0.651 nan 8.230 nan 0.000 0.412 262 W N 4.816 126.022 121.300 -0.155 0.000 2.647 262 W HA 0.609 5.270 4.660 0.001 0.000 0.353 262 W C -0.279 176.309 176.519 0.114 0.000 1.080 262 W CA -0.919 56.356 57.345 -0.118 0.000 1.208 262 W CB 1.099 30.442 29.460 -0.196 0.000 1.396 262 W HN 0.469 nan 8.180 nan 0.000 0.573 263 Y N -0.835 119.683 120.300 0.363 0.000 2.581 263 Y HA 0.686 5.237 4.550 0.001 0.000 0.345 263 Y C -1.134 174.977 175.900 0.351 0.000 1.036 263 Y CA -2.199 56.110 58.100 0.347 0.000 1.042 263 Y CB 1.416 39.895 38.460 0.032 0.000 1.289 263 Y HN 0.499 nan 8.280 nan 0.000 0.471 264 C N 3.317 122.899 119.300 0.469 0.000 2.432 264 C HA 0.421 4.882 4.460 0.001 0.000 0.334 264 C C -0.953 174.171 174.990 0.222 0.000 1.155 264 C CA -0.584 58.479 59.018 0.076 0.000 1.335 264 C CB -0.123 27.311 27.740 -0.509 0.000 1.964 264 C HN 0.908 nan 8.230 nan 0.000 0.444 265 D N 4.648 125.179 120.400 0.219 0.000 2.344 265 D HA 0.123 4.764 4.640 0.001 0.000 0.253 265 D C 1.194 177.426 176.300 -0.113 0.000 1.255 265 D CA 0.061 54.034 54.000 -0.045 0.000 0.894 265 D CB 0.630 41.447 40.800 0.028 0.000 1.067 265 D HN 0.717 nan 8.370 nan 0.000 0.492 266 L N 3.012 124.149 121.223 -0.143 0.000 2.127 266 L HA -0.206 4.134 4.340 0.001 0.000 0.211 266 L C 2.328 179.141 176.870 -0.096 0.000 1.089 266 L CA 0.964 55.743 54.840 -0.102 0.000 0.757 266 L CB -0.212 41.811 42.059 -0.060 0.000 0.899 266 L HN 0.501 nan 8.230 nan 0.000 0.434 267 Q N -0.545 119.186 119.800 -0.115 0.000 2.226 267 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 267 Q C 1.878 177.843 176.000 -0.058 0.000 0.975 267 Q CA 1.033 56.789 55.803 -0.078 0.000 0.866 267 Q CB 0.087 28.775 28.738 -0.083 0.000 0.915 267 Q HN 0.482 nan 8.270 nan 0.000 0.440 268 Q N 0.263 120.026 119.800 -0.062 0.000 2.403 268 Q HA 0.028 4.368 4.340 0.001 0.000 0.203 268 Q C -0.242 175.721 176.000 -0.061 0.000 0.932 268 Q CA 0.404 56.180 55.803 -0.046 0.000 0.945 268 Q CB 0.428 29.150 28.738 -0.026 0.000 1.045 268 Q HN 0.276 nan 8.270 nan 0.000 0.511 269 E N 0.501 120.656 120.200 -0.075 0.000 2.360 269 E HA 0.064 4.414 4.350 0.001 0.000 0.269 269 E C 0.810 177.375 176.600 -0.059 0.000 1.022 269 E CA 0.004 56.354 56.400 -0.084 0.000 0.887 269 E CB 1.224 30.863 29.700 -0.100 0.000 0.990 269 E HN 0.010 nan 8.360 nan 0.000 0.426 270 S N 2.735 118.402 115.700 -0.055 0.000 2.400 270 S HA -0.204 4.267 4.470 0.001 0.000 0.232 270 S C 1.069 175.649 174.600 -0.032 0.000 1.025 270 S CA 1.427 59.604 58.200 -0.039 0.000 0.993 270 S CB -0.016 63.163 63.200 -0.036 0.000 0.808 270 S HN 0.481 nan 8.310 nan 0.000 0.478 271 N N -0.388 118.290 118.700 -0.037 0.000 2.609 271 N HA 0.321 5.061 4.740 0.001 0.000 0.251 271 N C -0.080 175.409 175.510 -0.034 0.000 1.526 271 N CA 0.742 53.775 53.050 -0.028 0.000 0.931 271 N CB 0.084 38.559 38.487 -0.021 0.000 1.460 271 N HN 0.336 nan 8.380 nan 0.000 0.526 272 G N 0.699 109.471 108.800 -0.047 0.000 2.693 272 G HA2 -0.247 3.713 3.960 0.001 0.000 0.226 272 G HA3 -0.247 3.713 3.960 0.001 0.000 0.226 272 G C -0.376 174.468 174.900 -0.094 0.000 1.354 272 G CA -0.287 44.776 45.100 -0.062 0.000 0.873 272 G HN 0.286 nan 8.290 nan 0.000 0.562 273 I N 2.041 122.525 120.570 -0.143 0.000 2.329 273 I HA 0.315 4.486 4.170 0.001 0.000 0.295 273 I C 1.619 177.690 176.117 -0.076 0.000 1.109 273 I CA 0.699 61.887 61.300 -0.187 0.000 1.297 273 I CB 0.729 38.428 38.000 -0.502 0.000 1.433 273 I HN 0.781 nan 8.210 nan 0.000 0.509 274 T N 0.518 115.046 114.554 -0.043 0.000 3.004 274 T HA 0.521 4.872 4.350 0.001 0.000 0.266 274 T C 0.558 175.268 174.700 0.016 0.000 0.986 274 T CA 0.112 62.210 62.100 -0.003 0.000 0.902 274 T CB 0.847 69.708 68.868 -0.011 0.000 1.118 274 T HN 0.684 nan 8.240 nan 0.000 0.522 275 G N 1.332 110.138 108.800 0.010 0.000 2.393 275 G HA2 0.408 4.368 3.960 0.001 0.000 0.264 275 G HA3 0.408 4.368 3.960 0.001 0.000 0.264 275 G C -1.681 173.234 174.900 0.025 0.000 1.221 275 G CA -0.934 44.183 45.100 0.030 0.000 0.912 275 G HN 0.184 nan 8.290 nan 0.000 0.483 276 I N 2.339 122.928 120.570 0.031 0.000 2.742 276 I HA 0.114 4.285 4.170 0.001 0.000 0.287 276 I C 1.001 177.094 176.117 -0.041 0.000 1.186 276 I CA 0.330 61.666 61.300 0.059 0.000 1.417 276 I CB -0.437 37.609 38.000 0.076 0.000 1.377 276 I HN 0.249 nan 8.210 nan 0.000 0.556 277 L N 7.196 128.320 121.223 -0.165 0.000 2.464 277 L HA 0.134 4.474 4.340 0.001 0.000 0.264 277 L C 1.093 177.624 176.870 -0.565 0.000 1.199 277 L CA -0.464 54.065 54.840 -0.517 0.000 0.818 277 L CB 0.119 41.584 42.059 -0.990 0.000 1.102 277 L HN 0.469 nan 8.230 nan 0.000 0.473 278 K N 2.202 122.328 120.400 -0.457 0.000 2.243 278 K HA 0.070 4.390 4.320 0.001 0.000 0.232 278 K C -1.026 175.381 176.600 -0.323 0.000 1.237 278 K CA -0.050 56.062 56.287 -0.293 0.000 1.161 278 K CB -0.241 32.141 32.500 -0.197 0.000 1.505 278 K HN 0.309 nan 8.250 nan 0.000 0.271 279 W N 1.340 122.564 121.300 -0.126 0.000 2.251 279 W HA 0.059 4.719 4.660 0.001 0.000 0.327 279 W C 0.272 176.540 176.519 -0.419 0.000 1.361 279 W CA -0.769 56.456 57.345 -0.199 0.000 1.234 279 W CB 0.506 29.904 29.460 -0.102 0.000 1.212 279 W HN 0.012 nan 8.180 nan 0.000 0.557 280 V N 4.691 124.407 119.914 -0.330 0.000 2.347 280 V HA 0.165 4.285 4.120 0.001 0.000 0.280 280 V C 0.174 175.891 176.094 -0.628 0.000 1.021 280 V CA -1.403 60.527 62.300 -0.617 0.000 0.847 280 V CB 1.087 32.255 31.823 -1.091 0.000 0.990 280 V HN 0.410 nan 8.190 nan 0.000 0.444 281 K N 4.768 124.810 120.400 -0.597 0.000 2.307 281 K HA 0.149 4.469 4.320 0.001 0.000 0.240 281 K C 0.977 177.417 176.600 -0.267 0.000 1.214 281 K CA -0.292 55.634 56.287 -0.602 0.000 1.149 281 K CB 0.435 32.460 32.500 -0.792 0.000 1.668 281 K HN 0.532 nan 8.250 nan 0.000 0.314 282 L N 1.690 122.791 121.223 -0.203 0.000 1.990 282 L HA -0.121 4.220 4.340 0.001 0.000 0.213 282 L C 0.502 177.310 176.870 -0.103 0.000 1.072 282 L CA 1.879 56.636 54.840 -0.138 0.000 0.755 282 L CB 0.178 42.146 42.059 -0.152 0.000 0.889 282 L HN 0.401 nan 8.230 nan 0.000 0.432 283 I N 0.603 121.107 120.570 -0.110 0.000 2.437 283 I HA 0.208 4.378 4.170 0.001 0.000 0.279 283 I C -0.734 175.348 176.117 -0.058 0.000 1.028 283 I CA -0.262 60.943 61.300 -0.158 0.000 1.142 283 I CB 0.774 38.521 38.000 -0.422 0.000 1.266 283 I HN 0.095 nan 8.210 nan 0.000 0.461 284 D N 5.710 126.085 120.400 -0.042 0.000 3.123 284 D HA 0.257 4.897 4.640 0.001 0.000 0.305 284 D C -0.337 175.876 176.300 -0.144 0.000 1.373 284 D CA -0.080 53.918 54.000 -0.004 0.000 0.889 284 D CB 0.243 41.060 40.800 0.029 0.000 1.070 284 D HN 0.696 nan 8.370 nan 0.000 0.494 285 N N -2.080 116.452 118.700 -0.279 0.000 3.116 285 N HA 0.286 5.026 4.740 0.001 0.000 0.244 285 N C -1.188 174.057 175.510 -0.442 0.000 1.485 285 N CA -0.784 52.066 53.050 -0.333 0.000 0.884 285 N CB 0.246 38.677 38.487 -0.094 0.000 1.415 285 N HN -0.192 nan 8.380 nan 0.000 0.524 286 F N -0.232 119.679 119.950 -0.065 0.000 2.923 286 F HA 0.426 4.954 4.527 0.001 0.000 0.314 286 F C 0.935 176.717 175.800 -0.030 0.000 1.196 286 F CA -0.481 57.468 58.000 -0.085 0.000 1.320 286 F CB 0.172 39.097 39.000 -0.124 0.000 0.953 286 F HN 0.587 nan 8.300 nan 0.000 0.505 287 E N 0.119 120.397 120.200 0.130 0.000 2.371 287 E HA 0.224 4.574 4.350 0.001 0.000 0.194 287 E C 1.316 177.933 176.600 0.028 0.000 1.012 287 E CA 0.314 56.761 56.400 0.078 0.000 0.860 287 E CB 0.377 30.116 29.700 0.064 0.000 0.811 287 E HN 0.419 nan 8.360 nan 0.000 0.502 288 G N 0.476 109.318 108.800 0.070 0.000 2.660 288 G HA2 0.293 4.254 3.960 0.001 0.000 0.290 288 G HA3 0.293 4.254 3.960 0.001 0.000 0.290 288 G C -1.769 173.006 174.900 -0.207 0.000 1.432 288 G CA -0.719 44.313 45.100 -0.114 0.000 0.807 288 G HN -0.022 nan 8.290 nan 0.000 0.485 289 E N -0.729 119.238 120.200 -0.388 0.000 2.231 289 E HA 0.585 4.936 4.350 0.001 0.000 0.277 289 E C -1.481 174.730 176.600 -0.649 0.000 0.999 289 E CA -0.681 55.552 56.400 -0.277 0.000 0.827 289 E CB 1.123 30.795 29.700 -0.047 0.000 1.101 289 E HN 0.391 nan 8.360 nan 0.000 0.393 290 Y N 2.416 122.705 120.300 -0.018 0.000 2.373 290 Y HA 0.189 4.740 4.550 0.001 0.000 0.327 290 Y C -0.860 175.126 175.900 0.143 0.000 1.036 290 Y CA -1.107 56.938 58.100 -0.091 0.000 1.265 290 Y CB 1.325 39.486 38.460 -0.498 0.000 1.108 290 Y HN 0.456 nan 8.280 nan 0.000 0.471 291 D N 2.271 122.887 120.400 0.361 0.000 2.373 291 D HA 0.094 4.735 4.640 0.001 0.000 0.227 291 D C -0.744 175.864 176.300 0.513 0.000 1.091 291 D CA -0.510 53.712 54.000 0.371 0.000 0.840 291 D CB 0.432 41.358 40.800 0.210 0.000 1.060 291 D HN 0.388 nan 8.370 nan 0.000 0.502 292 Y N 3.969 124.523 120.300 0.422 0.000 2.717 292 Y HA 0.104 4.655 4.550 0.001 0.000 0.330 292 Y C 0.310 176.239 175.900 0.048 0.000 1.217 292 Y CA 0.355 58.558 58.100 0.172 0.000 1.506 292 Y CB 0.670 39.249 38.460 0.199 0.000 1.268 292 Y HN 0.313 nan 8.280 nan 0.000 0.561 293 V N 3.805 123.276 119.914 -0.740 0.000 2.721 293 V HA 0.185 4.305 4.120 0.001 0.000 0.236 293 V C 0.547 176.052 176.094 -0.983 0.000 1.116 293 V CA 1.201 63.139 62.300 -0.604 0.000 1.148 293 V CB 0.441 32.070 31.823 -0.323 0.000 0.886 293 V HN 0.848 nan 8.190 nan 0.000 0.490 294 T N 0.247 114.090 114.554 -1.184 0.000 2.686 294 T HA 0.353 4.703 4.350 0.001 0.000 0.308 294 T C -2.323 171.970 174.700 -0.679 0.000 1.667 294 T CA -0.473 61.112 62.100 -0.859 0.000 0.987 294 T CB 1.633 70.274 68.868 -0.379 0.000 1.652 294 T HN 0.541 nan 8.240 nan 0.000 0.496 295 N N 1.142 119.541 118.700 -0.502 0.000 2.494 295 N HA 0.431 5.172 4.740 0.001 0.000 0.270 295 N C -1.848 173.393 175.510 -0.449 0.000 1.285 295 N CA -0.713 51.871 53.050 -0.775 0.000 0.812 295 N CB 2.262 39.666 38.487 -1.805 0.000 1.557 295 N HN 0.503 nan 8.380 nan 0.000 0.487 296 E N 0.650 120.618 120.200 -0.387 0.000 2.325 296 E HA 0.396 4.747 4.350 0.001 0.000 0.248 296 E C 0.700 177.195 176.600 -0.176 0.000 0.912 296 E CA -0.150 56.126 56.400 -0.206 0.000 0.782 296 E CB 1.066 30.681 29.700 -0.142 0.000 1.264 296 E HN 0.992 nan 8.360 nan 0.000 0.417 297 G N 3.177 111.907 108.800 -0.116 0.000 2.561 297 G HA2 -0.410 3.550 3.960 0.001 0.000 0.289 297 G HA3 -0.410 3.550 3.960 0.001 0.000 0.289 297 G C 0.920 175.795 174.900 -0.041 0.000 1.169 297 G CA 0.726 45.812 45.100 -0.023 0.000 0.980 297 G HN 0.551 nan 8.290 nan 0.000 0.550 298 T N -1.371 113.182 114.554 -0.001 0.000 3.129 298 T HA 0.462 4.812 4.350 0.001 0.000 0.251 298 T C 0.774 175.411 174.700 -0.106 0.000 1.117 298 T CA 0.937 63.025 62.100 -0.019 0.000 1.034 298 T CB 0.256 69.183 68.868 0.098 0.000 0.968 298 T HN 1.013 nan 8.240 nan 0.000 0.526 299 V N 2.736 122.562 119.914 -0.146 0.000 2.353 299 V HA 0.416 4.536 4.120 0.001 0.000 0.264 299 V C -0.661 175.248 176.094 -0.308 0.000 1.049 299 V CA -0.886 61.339 62.300 -0.126 0.000 0.896 299 V CB -0.476 31.298 31.823 -0.083 0.000 1.025 299 V HN 0.328 nan 8.190 nan 0.000 0.475 300 F N 2.494 122.191 119.950 -0.421 0.000 2.415 300 F HA 0.440 4.967 4.527 0.001 0.000 0.348 300 F C 0.956 176.489 175.800 -0.445 0.000 1.119 300 F CA -0.361 57.337 58.000 -0.504 0.000 1.069 300 F CB 1.679 40.284 39.000 -0.658 0.000 1.124 300 F HN 0.314 nan 8.300 nan 0.000 0.472 301 T N 5.157 119.446 114.554 -0.441 0.000 2.744 301 T HA 0.508 4.858 4.350 0.001 0.000 0.291 301 T C -0.760 173.678 174.700 -0.437 0.000 0.957 301 T CA -0.141 61.772 62.100 -0.310 0.000 1.002 301 T CB -0.022 68.687 68.868 -0.264 0.000 0.919 301 T HN 0.159 nan 8.240 nan 0.000 0.468 302 F N 1.742 121.702 119.950 0.017 0.000 2.546 302 F HA 0.512 5.040 4.527 0.001 0.000 0.320 302 F C 0.398 176.219 175.800 0.035 0.000 1.076 302 F CA -1.284 56.755 58.000 0.065 0.000 0.928 302 F CB 1.835 40.926 39.000 0.152 0.000 1.189 302 F HN 0.275 nan 8.300 nan 0.000 0.465 303 K N 1.318 121.869 120.400 0.251 0.000 2.201 303 K HA 0.566 4.887 4.320 0.001 0.000 0.278 303 K C -0.731 175.971 176.600 0.169 0.000 1.027 303 K CA -0.053 56.329 56.287 0.159 0.000 0.909 303 K CB 1.305 33.867 32.500 0.103 0.000 1.062 303 K HN 0.771 nan 8.250 nan 0.000 0.465 304 T N 1.619 116.241 114.554 0.113 0.000 2.864 304 T HA 0.288 4.639 4.350 0.001 0.000 0.299 304 T C -0.599 174.014 174.700 -0.145 0.000 1.166 304 T CA -0.814 61.233 62.100 -0.088 0.000 1.007 304 T CB 0.846 69.594 68.868 -0.200 0.000 1.219 304 T HN 0.802 nan 8.240 nan 0.000 0.506 305 N N 0.936 119.406 118.700 -0.383 0.000 2.197 305 N HA 0.160 4.900 4.740 0.001 0.000 0.228 305 N C 0.047 175.350 175.510 -0.345 0.000 1.212 305 N CA -0.546 52.154 53.050 -0.583 0.000 0.883 305 N CB -0.003 37.877 38.487 -1.012 0.000 1.107 305 N HN 0.335 nan 8.380 nan 0.000 0.519 306 R N 1.790 122.134 120.500 -0.260 0.000 2.457 306 R HA 0.008 4.348 4.340 0.001 0.000 0.335 306 R C -0.276 175.993 176.300 -0.052 0.000 1.003 306 R CA 0.356 56.360 56.100 -0.160 0.000 1.003 306 R CB -1.338 29.011 30.300 0.082 0.000 0.950 306 R HN 0.270 nan 8.270 nan 0.000 0.428 307 H N 1.444 120.504 119.070 -0.018 0.000 2.776 307 H HA -0.180 4.377 4.556 0.001 0.000 0.300 307 H C -0.937 174.380 175.328 -0.017 0.000 1.161 307 H CA 1.396 57.438 56.048 -0.008 0.000 1.147 307 H CB -1.728 28.044 29.762 0.016 0.000 1.366 307 H HN 0.637 nan 8.280 nan 0.000 0.397 308 S N -1.433 114.254 115.700 -0.022 0.000 2.479 308 S HA 0.250 4.720 4.470 0.001 0.000 0.169 308 S C -1.694 172.813 174.600 -0.155 0.000 1.181 308 S CA -0.799 57.382 58.200 -0.032 0.000 1.169 308 S CB 2.678 65.878 63.200 0.001 0.000 1.384 308 S HN -0.082 nan 8.310 nan 0.000 0.412 309 P HA -0.050 nan 4.420 nan 0.000 0.225 309 P C 0.317 177.587 177.300 -0.051 0.000 1.148 309 P CA 0.931 63.956 63.100 -0.126 0.000 0.779 309 P CB -0.016 31.678 31.700 -0.009 0.000 0.780 310 N N -1.505 117.232 118.700 0.061 0.000 2.280 310 N HA 0.041 4.781 4.740 0.001 0.000 0.192 310 N C -0.294 175.436 175.510 0.367 0.000 1.109 310 N CA -0.065 53.129 53.050 0.239 0.000 0.855 310 N CB -0.470 38.154 38.487 0.228 0.000 0.974 310 N HN 0.113 nan 8.380 nan 0.000 0.482 311 Y N -0.186 120.146 120.300 0.052 0.000 2.521 311 Y HA -0.329 4.222 4.550 0.001 0.000 0.021 311 Y C 0.628 176.551 175.900 0.039 0.000 1.717 311 Y CA -0.040 58.072 58.100 0.020 0.000 1.409 311 Y CB -0.509 37.938 38.460 -0.022 0.000 2.055 311 Y HN 0.225 nan 8.280 nan 0.000 0.256 312 R N 0.601 121.200 120.500 0.165 0.000 2.762 312 R HA 0.912 5.252 4.340 0.001 0.000 0.271 312 R C -2.182 174.177 176.300 0.097 0.000 1.038 312 R CA -1.351 54.822 56.100 0.122 0.000 0.906 312 R CB 1.571 31.942 30.300 0.118 0.000 1.259 312 R HN 0.507 nan 8.270 nan 0.000 0.457 313 L N 2.238 123.506 121.223 0.076 0.000 2.313 313 L HA 0.619 4.959 4.340 0.001 0.000 0.283 313 L C -0.264 176.666 176.870 0.100 0.000 1.013 313 L CA -0.974 53.906 54.840 0.067 0.000 0.816 313 L CB 1.672 43.734 42.059 0.006 0.000 1.236 313 L HN 0.581 nan 8.230 nan 0.000 0.419 314 I N 0.071 120.720 120.570 0.132 0.000 2.785 314 I HA 0.528 4.698 4.170 0.001 0.000 0.302 314 I C -0.932 175.258 176.117 0.122 0.000 1.069 314 I CA -0.757 60.633 61.300 0.150 0.000 1.045 314 I CB 2.290 40.406 38.000 0.193 0.000 1.236 314 I HN 0.486 nan 8.210 nan 0.000 0.429 315 N N 4.358 123.121 118.700 0.106 0.000 2.417 315 N HA 0.602 5.343 4.740 0.001 0.000 0.274 315 N C -1.276 174.274 175.510 0.068 0.000 0.987 315 N CA -0.607 52.485 53.050 0.071 0.000 0.912 315 N CB 2.179 40.698 38.487 0.053 0.000 1.177 315 N HN 0.457 nan 8.380 nan 0.000 0.490 316 I N 1.214 121.822 120.570 0.062 0.000 2.362 316 I HA 0.162 4.332 4.170 0.001 0.000 0.289 316 I C -0.543 175.687 176.117 0.189 0.000 0.994 316 I CA -0.681 60.623 61.300 0.008 0.000 1.158 316 I CB 1.510 39.427 38.000 -0.139 0.000 1.315 316 I HN 0.403 nan 8.210 nan 0.000 0.451 317 D N 6.017 126.553 120.400 0.226 0.000 2.313 317 D HA 0.152 4.793 4.640 0.001 0.000 0.239 317 D C 0.804 177.313 176.300 0.348 0.000 1.142 317 D CA -0.268 53.858 54.000 0.210 0.000 0.847 317 D CB 0.877 41.781 40.800 0.173 0.000 1.082 317 D HN 0.232 nan 8.370 nan 0.000 0.480 318 F N 1.552 121.531 119.950 0.048 0.000 2.307 318 F HA -0.139 4.388 4.527 0.001 0.000 0.301 318 F C 2.537 178.391 175.800 0.090 0.000 1.076 318 F CA 1.206 59.201 58.000 -0.008 0.000 1.383 318 F CB -1.227 37.624 39.000 -0.250 0.000 1.055 318 F HN 0.442 nan 8.300 nan 0.000 0.526 319 T N -4.058 110.666 114.554 0.284 0.000 3.100 319 T HA 0.030 4.380 4.350 0.001 0.000 0.253 319 T C 0.390 175.193 174.700 0.172 0.000 1.118 319 T CA 0.555 62.777 62.100 0.204 0.000 1.058 319 T CB 0.015 68.980 68.868 0.162 0.000 0.953 319 T HN 0.024 nan 8.240 nan 0.000 0.515 320 D N 1.401 121.919 120.400 0.197 0.000 3.118 320 D HA 0.264 4.905 4.640 0.001 0.000 0.286 320 D C -1.907 174.539 176.300 0.243 0.000 1.255 320 D CA -1.635 52.472 54.000 0.178 0.000 0.748 320 D CB 1.241 42.133 40.800 0.154 0.000 1.332 320 D HN 0.033 nan 8.370 nan 0.000 0.575 321 P HA -0.092 nan 4.420 nan 0.000 0.226 321 P C -0.049 177.474 177.300 0.371 0.000 1.153 321 P CA 0.337 63.637 63.100 0.334 0.000 0.777 321 P CB 0.428 32.261 31.700 0.222 0.000 0.794 322 E N 0.781 121.086 120.200 0.175 0.000 2.452 322 E HA -0.094 4.257 4.350 0.001 0.000 0.261 322 E C 1.250 177.706 176.600 -0.240 0.000 0.987 322 E CA 0.019 56.422 56.400 0.005 0.000 0.926 322 E CB 0.474 30.161 29.700 -0.021 0.000 0.934 322 E HN 0.239 nan 8.360 nan 0.000 0.452 323 E N 2.103 121.927 120.200 -0.628 0.000 2.130 323 E HA -0.257 4.093 4.350 0.001 0.000 0.196 323 E C 1.727 177.832 176.600 -0.825 0.000 0.998 323 E CA 1.616 57.117 56.400 -1.499 0.000 0.806 323 E CB 0.082 29.067 29.700 -1.191 0.000 0.738 323 E HN 0.566 nan 8.360 nan 0.000 0.459 324 S N -0.058 115.412 115.700 -0.384 0.000 2.442 324 S HA -0.096 4.375 4.470 0.001 0.000 0.236 324 S C 1.573 176.129 174.600 -0.074 0.000 1.007 324 S CA 0.715 58.805 58.200 -0.183 0.000 0.965 324 S CB -0.031 63.102 63.200 -0.111 0.000 0.773 324 S HN 0.124 nan 8.310 nan 0.000 0.504 325 K N -0.093 120.284 120.400 -0.039 0.000 2.356 325 K HA 0.142 4.463 4.320 0.001 0.000 0.195 325 K C -0.044 176.722 176.600 0.277 0.000 1.037 325 K CA -0.178 56.178 56.287 0.115 0.000 1.014 325 K CB -0.261 32.327 32.500 0.146 0.000 0.815 325 K HN 0.459 nan 8.250 nan 0.000 0.507 326 W N 3.071 124.428 121.300 0.095 0.000 2.231 326 W HA -0.010 4.651 4.660 0.001 0.000 0.341 326 W C 0.682 177.263 176.519 0.103 0.000 1.298 326 W CA -0.512 56.905 57.345 0.119 0.000 1.266 326 W CB 0.020 29.564 29.460 0.141 0.000 1.172 326 W HN -0.246 nan 8.180 nan 0.000 0.568 327 K N 2.243 122.836 120.400 0.321 0.000 2.159 327 K HA 0.429 4.749 4.320 0.001 0.000 0.266 327 K C -0.727 175.990 176.600 0.195 0.000 0.975 327 K CA -1.163 55.248 56.287 0.207 0.000 0.865 327 K CB 1.525 34.112 32.500 0.145 0.000 1.087 327 K HN 0.112 nan 8.250 nan 0.000 0.446 328 V N 4.808 124.820 119.914 0.164 0.000 2.353 328 V HA 0.048 4.168 4.120 0.001 0.000 0.264 328 V C 1.421 177.580 176.094 0.109 0.000 1.049 328 V CA -0.336 62.052 62.300 0.146 0.000 0.896 328 V CB 0.714 32.617 31.823 0.134 0.000 1.025 328 V HN 0.629 nan 8.190 nan 0.000 0.475 329 L N 6.380 127.660 121.223 0.096 0.000 2.068 329 L HA 0.212 4.552 4.340 0.001 0.000 0.204 329 L C 0.736 177.649 176.870 0.073 0.000 1.076 329 L CA 1.849 56.732 54.840 0.072 0.000 0.753 329 L CB 0.477 42.565 42.059 0.048 0.000 0.910 329 L HN 0.438 nan 8.230 nan 0.000 0.439 330 V N 1.158 121.114 119.914 0.069 0.000 2.419 330 V HA 0.383 4.504 4.120 0.001 0.000 0.287 330 V C -2.306 173.845 176.094 0.097 0.000 1.017 330 V CA -1.503 60.841 62.300 0.074 0.000 0.844 330 V CB 1.113 32.942 31.823 0.010 0.000 1.011 330 V HN 0.087 nan 8.190 nan 0.000 0.429 331 P HA 0.077 nan 4.420 nan 0.000 0.270 331 P C -0.048 177.331 177.300 0.132 0.000 1.223 331 P CA -0.123 63.040 63.100 0.105 0.000 0.785 331 P CB 0.651 32.399 31.700 0.080 0.000 0.923 332 E N 1.567 121.841 120.200 0.124 0.000 2.384 332 E HA -0.051 4.300 4.350 0.001 0.000 0.266 332 E C -0.205 176.489 176.600 0.157 0.000 1.012 332 E CA -0.165 56.327 56.400 0.154 0.000 0.901 332 E CB 0.299 30.068 29.700 0.114 0.000 0.967 332 E HN 0.460 nan 8.360 nan 0.000 0.435 333 H N 3.362 122.508 119.070 0.126 0.000 2.551 333 H HA -0.003 4.554 4.556 0.001 0.000 0.358 333 H C 0.681 176.048 175.328 0.064 0.000 1.151 333 H CA 0.319 56.408 56.048 0.069 0.000 1.374 333 H CB 1.527 31.312 29.762 0.039 0.000 1.473 333 H HN 0.820 nan 8.280 nan 0.000 0.574 334 E N 2.580 122.602 120.200 -0.296 0.000 2.153 334 E HA -0.166 4.184 4.350 0.001 0.000 0.194 334 E C 1.271 177.936 176.600 0.107 0.000 0.988 334 E CA 1.380 57.721 56.400 -0.100 0.000 0.811 334 E CB 0.354 29.926 29.700 -0.215 0.000 0.746 334 E HN 0.595 nan 8.360 nan 0.000 0.466 335 K N -0.768 119.851 120.400 0.365 0.000 2.603 335 K HA 0.041 4.362 4.320 0.001 0.000 0.205 335 K C -0.626 176.155 176.600 0.301 0.000 1.500 335 K CA -0.095 56.370 56.287 0.297 0.000 1.059 335 K CB 0.732 33.357 32.500 0.209 0.000 1.416 335 K HN -0.069 nan 8.250 nan 0.000 0.562 336 D N 1.807 122.379 120.400 0.286 0.000 2.350 336 D HA 0.088 4.728 4.640 0.001 0.000 0.249 336 D C -0.529 175.889 176.300 0.196 0.000 1.119 336 D CA -0.013 54.010 54.000 0.038 0.000 0.886 336 D CB 1.774 42.332 40.800 -0.404 0.000 1.195 336 D HN -0.149 nan 8.370 nan 0.000 0.437 337 V N 2.985 122.994 119.914 0.158 0.000 2.461 337 V HA 0.055 4.176 4.120 0.001 0.000 0.275 337 V C 0.263 176.402 176.094 0.075 0.000 1.047 337 V CA -0.798 61.592 62.300 0.150 0.000 0.955 337 V CB 1.310 33.156 31.823 0.039 0.000 0.988 337 V HN 0.326 nan 8.190 nan 0.000 0.471 338 L N 5.484 126.694 121.223 -0.021 0.000 2.363 338 L HA 0.305 4.645 4.340 0.001 0.000 0.286 338 L C 1.163 177.777 176.870 -0.426 0.000 1.106 338 L CA 0.678 55.235 54.840 -0.471 0.000 0.859 338 L CB 0.080 41.900 42.059 -0.399 0.000 1.223 338 L HN 0.716 nan 8.230 nan 0.000 0.446 339 E N 5.286 125.213 120.200 -0.455 0.000 2.046 339 E HA -0.017 4.333 4.350 0.001 0.000 0.190 339 E C -0.519 175.966 176.600 -0.192 0.000 0.982 339 E CA 1.370 57.572 56.400 -0.329 0.000 0.800 339 E CB 0.142 29.717 29.700 -0.209 0.000 0.756 339 E HN 0.750 nan 8.360 nan 0.000 0.449 340 W N -1.333 119.786 121.300 -0.300 0.000 3.066 340 W HA 0.582 5.243 4.660 0.001 0.000 0.330 340 W C -1.626 174.727 176.519 -0.277 0.000 1.253 340 W CA -0.821 56.373 57.345 -0.253 0.000 1.187 340 W CB 0.656 29.998 29.460 -0.196 0.000 1.434 340 W HN -0.384 nan 8.180 nan 0.000 0.572 341 V N 1.254 121.251 119.914 0.138 0.000 2.841 341 V HA 0.832 4.952 4.120 0.001 0.000 0.310 341 V C -0.373 175.780 176.094 0.099 0.000 1.090 341 V CA -0.723 61.572 62.300 -0.008 0.000 0.930 341 V CB 1.237 32.991 31.823 -0.115 0.000 1.014 341 V HN 0.895 nan 8.190 nan 0.000 0.425 342 A N 2.142 124.992 122.820 0.051 0.000 2.435 342 A HA 0.793 5.113 4.320 0.001 0.000 0.304 342 A C -0.835 176.795 177.584 0.076 0.000 1.064 342 A CA -0.485 51.586 52.037 0.056 0.000 0.727 342 A CB 1.771 20.764 19.000 -0.011 0.000 1.284 342 A HN 1.074 nan 8.150 nan 0.000 0.415 343 C N 2.029 121.378 119.300 0.082 0.000 2.329 343 C HA 0.827 5.287 4.460 0.001 0.000 0.329 343 C C -0.295 174.795 174.990 0.167 0.000 1.275 343 C CA -0.110 58.959 59.018 0.085 0.000 1.726 343 C CB -0.024 27.708 27.740 -0.014 0.000 2.291 343 C HN 1.087 nan 8.230 nan 0.000 0.514 344 V N 6.740 126.781 119.914 0.211 0.000 3.049 344 V HA 0.672 4.792 4.120 0.001 0.000 0.309 344 V C 0.328 176.531 176.094 0.182 0.000 1.148 344 V CA -0.582 61.856 62.300 0.231 0.000 0.990 344 V CB 1.778 33.796 31.823 0.325 0.000 1.039 344 V HN 1.040 nan 8.190 nan 0.000 0.430 345 R N 3.384 123.955 120.500 0.118 0.000 3.333 345 R HA -0.215 4.125 4.340 0.001 0.000 0.256 345 R C 0.950 177.190 176.300 -0.099 0.000 1.010 345 R CA 0.883 56.992 56.100 0.014 0.000 0.680 345 R CB -1.434 28.881 30.300 0.024 0.000 1.102 345 R HN 1.339 nan 8.270 nan 0.000 0.440 346 S N -1.870 113.807 115.700 -0.039 0.000 1.694 346 S HA -0.350 4.121 4.470 0.001 0.000 0.236 346 S C 0.597 175.148 174.600 -0.082 0.000 0.821 346 S CA 2.089 60.252 58.200 -0.063 0.000 1.530 346 S CB -0.942 62.206 63.200 -0.087 0.000 1.703 346 S HN 0.915 nan 8.310 nan 0.000 0.517 347 N N 0.128 118.727 118.700 -0.168 0.000 2.282 347 N HA 0.423 5.164 4.740 0.001 0.000 0.240 347 N C -0.752 174.750 175.510 -0.014 0.000 1.182 347 N CA -0.358 52.617 53.050 -0.125 0.000 0.874 347 N CB 0.353 38.749 38.487 -0.151 0.000 1.126 347 N HN 0.284 nan 8.380 nan 0.000 0.516 348 F N 1.176 121.149 119.950 0.038 0.000 2.492 348 F HA 0.580 5.107 4.527 0.001 0.000 0.327 348 F C -0.061 175.776 175.800 0.061 0.000 1.079 348 F CA -1.510 56.526 58.000 0.060 0.000 0.967 348 F CB 1.575 40.628 39.000 0.089 0.000 1.169 348 F HN -0.084 nan 8.300 nan 0.000 0.472 349 L N 2.854 124.243 121.223 0.276 0.000 2.385 349 L HA 0.579 4.920 4.340 0.001 0.000 0.273 349 L C -1.073 175.860 176.870 0.106 0.000 0.990 349 L CA -0.981 53.939 54.840 0.133 0.000 0.821 349 L CB 2.174 44.263 42.059 0.050 0.000 1.279 349 L HN 0.166 nan 8.230 nan 0.000 0.412 350 V N 4.870 124.823 119.914 0.065 0.000 2.350 350 V HA 0.394 4.514 4.120 0.001 0.000 0.276 350 V C 0.075 176.044 176.094 -0.208 0.000 1.028 350 V CA -0.381 61.928 62.300 0.014 0.000 0.860 350 V CB 1.511 33.371 31.823 0.061 0.000 0.990 350 V HN 0.461 nan 8.190 nan 0.000 0.453 351 L N 4.690 125.748 121.223 -0.275 0.000 2.322 351 L HA 0.544 4.885 4.340 0.001 0.000 0.281 351 L C -0.304 176.163 176.870 -0.672 0.000 1.014 351 L CA -0.253 54.274 54.840 -0.521 0.000 0.815 351 L CB 1.705 43.465 42.059 -0.498 0.000 1.247 351 L HN 0.672 nan 8.230 nan 0.000 0.421 352 C N 3.919 122.559 119.300 -1.100 0.000 2.298 352 C HA 0.612 5.073 4.460 0.001 0.000 0.323 352 C C -0.334 174.196 174.990 -0.767 0.000 1.284 352 C CA -0.359 58.040 59.018 -1.032 0.000 1.577 352 C CB -0.106 26.512 27.740 -1.869 0.000 2.249 352 C HN 0.647 nan 8.230 nan 0.000 0.497 353 Y N 3.744 123.828 120.300 -0.360 0.000 2.528 353 Y HA 0.686 5.236 4.550 0.001 0.000 0.335 353 Y C -0.073 175.733 175.900 -0.156 0.000 1.093 353 Y CA -0.822 57.133 58.100 -0.241 0.000 1.134 353 Y CB 1.456 39.794 38.460 -0.202 0.000 1.253 353 Y HN 0.551 nan 8.280 nan 0.000 0.478 354 L N 2.663 123.924 121.223 0.063 0.000 2.316 354 L HA 0.363 4.704 4.340 0.001 0.000 0.280 354 L C -1.367 175.527 176.870 0.040 0.000 1.006 354 L CA -0.419 54.433 54.840 0.020 0.000 0.836 354 L CB 0.317 42.341 42.059 -0.059 0.000 1.221 354 L HN 0.669 nan 8.230 nan 0.000 0.418 355 H N 4.333 123.388 119.070 -0.025 0.000 2.595 355 H HA 0.358 4.915 4.556 0.001 0.000 0.313 355 H C -0.566 174.780 175.328 0.030 0.000 1.023 355 H CA -0.349 55.684 56.048 -0.025 0.000 1.218 355 H CB 0.511 30.248 29.762 -0.041 0.000 1.403 355 H HN 0.676 nan 8.280 nan 0.000 0.477 356 D N 4.559 124.762 120.400 -0.328 0.000 2.686 356 D HA -0.182 4.458 4.640 0.001 0.000 0.235 356 D C 0.320 176.585 176.300 -0.057 0.000 1.160 356 D CA 1.220 55.132 54.000 -0.147 0.000 0.645 356 D CB -1.252 39.486 40.800 -0.103 0.000 1.039 356 D HN 0.621 nan 8.370 nan 0.000 0.423 357 V N -2.812 117.024 119.914 -0.131 0.000 4.591 357 V HA -0.361 3.759 4.120 0.001 0.000 0.261 357 V C 0.615 176.846 176.094 0.229 0.000 0.425 357 V CA 1.885 64.195 62.300 0.018 0.000 0.826 357 V CB -1.948 29.881 31.823 0.010 0.000 0.812 357 V HN 0.515 nan 8.190 nan 0.000 1.340 358 K N 0.144 120.649 120.400 0.175 0.000 2.422 358 K HA 0.600 4.920 4.320 0.001 0.000 0.251 358 K C -0.194 176.500 176.600 0.157 0.000 0.933 358 K CA -0.713 55.696 56.287 0.204 0.000 0.798 358 K CB 2.087 34.746 32.500 0.265 0.000 1.238 358 K HN 0.358 nan 8.250 nan 0.000 0.428 359 N N 0.523 119.312 118.700 0.149 0.000 2.513 359 N HA 0.284 5.025 4.740 0.001 0.000 0.274 359 N C -0.874 174.710 175.510 0.123 0.000 1.189 359 N CA -0.066 53.058 53.050 0.123 0.000 0.975 359 N CB 1.017 39.587 38.487 0.139 0.000 1.157 359 N HN 0.577 nan 8.380 nan 0.000 0.465 360 T N -0.976 113.615 114.554 0.062 0.000 2.903 360 T HA 0.551 4.902 4.350 0.001 0.000 0.299 360 T C -0.924 173.764 174.700 -0.021 0.000 1.093 360 T CA -0.875 61.242 62.100 0.028 0.000 1.002 360 T CB 1.021 69.888 68.868 -0.002 0.000 1.127 360 T HN 0.190 nan 8.240 nan 0.000 0.488 361 L N 2.277 123.482 121.223 -0.031 0.000 2.408 361 L HA 0.629 4.970 4.340 0.001 0.000 0.268 361 L C -0.898 175.973 176.870 0.002 0.000 0.986 361 L CA -0.727 54.079 54.840 -0.056 0.000 0.820 361 L CB 2.025 44.027 42.059 -0.096 0.000 1.303 361 L HN 0.985 nan 8.230 nan 0.000 0.411 362 Q N 3.054 122.850 119.800 -0.007 0.000 2.482 362 Q HA 0.541 4.881 4.340 0.001 0.000 0.286 362 Q C -1.866 174.116 176.000 -0.031 0.000 1.007 362 Q CA -1.004 54.721 55.803 -0.129 0.000 0.801 362 Q CB 3.156 31.870 28.738 -0.041 0.000 1.455 362 Q HN 0.409 nan 8.270 nan 0.000 0.398 363 L N 1.550 122.619 121.223 -0.258 0.000 2.307 363 L HA 0.519 4.860 4.340 0.001 0.000 0.284 363 L C -1.095 175.702 176.870 -0.122 0.000 1.023 363 L CA -0.032 54.716 54.840 -0.154 0.000 0.810 363 L CB 1.184 42.993 42.059 -0.416 0.000 1.231 363 L HN 0.690 nan 8.230 nan 0.000 0.423 364 H N 1.553 120.554 119.070 -0.116 0.000 2.797 364 H HA 0.272 4.828 4.556 0.001 0.000 0.372 364 H C -1.378 173.988 175.328 0.062 0.000 1.168 364 H CA -0.934 55.088 56.048 -0.044 0.000 1.163 364 H CB 2.247 32.000 29.762 -0.014 0.000 1.778 364 H HN 0.558 nan 8.280 nan 0.000 0.551 365 D N 1.216 121.732 120.400 0.193 0.000 2.308 365 D HA -0.008 4.632 4.640 0.001 0.000 0.251 365 D C 0.860 177.255 176.300 0.160 0.000 1.127 365 D CA -0.440 53.687 54.000 0.212 0.000 0.876 365 D CB 1.155 42.036 40.800 0.135 0.000 1.176 365 D HN 0.279 nan 8.370 nan 0.000 0.446 366 L N 4.851 126.153 121.223 0.132 0.000 2.056 366 L HA 0.042 4.383 4.340 0.001 0.000 0.207 366 L C 1.965 178.855 176.870 0.032 0.000 1.078 366 L CA 2.253 57.128 54.840 0.059 0.000 0.749 366 L CB -0.882 41.187 42.059 0.017 0.000 0.901 366 L HN 0.597 nan 8.230 nan 0.000 0.433 367 A N -1.238 121.601 122.820 0.032 0.000 1.902 367 A HA -0.198 4.122 4.320 0.001 0.000 0.217 367 A C 2.282 179.887 177.584 0.034 0.000 1.181 367 A CA 2.492 54.542 52.037 0.021 0.000 0.623 367 A CB -1.096 17.914 19.000 0.015 0.000 0.818 367 A HN 0.611 nan 8.150 nan 0.000 0.443 368 T N -6.046 108.537 114.554 0.049 0.000 2.990 368 T HA 0.433 4.783 4.350 0.001 0.000 0.249 368 T C 1.474 176.218 174.700 0.072 0.000 1.039 368 T CA 1.100 63.232 62.100 0.053 0.000 1.036 368 T CB 0.404 69.299 68.868 0.045 0.000 0.994 368 T HN 1.746 nan 8.240 nan 0.000 0.489 369 G N 1.678 110.536 108.800 0.098 0.000 2.176 369 G HA2 -0.045 3.916 3.960 0.001 0.000 0.253 369 G HA3 -0.045 3.916 3.960 0.001 0.000 0.253 369 G C 0.354 175.393 174.900 0.231 0.000 0.979 369 G CA -0.027 45.162 45.100 0.147 0.000 0.641 369 G HN 1.217 nan 8.290 nan 0.000 0.530 370 A N 0.094 122.984 122.820 0.117 0.000 2.462 370 A HA 0.623 4.943 4.320 0.001 0.000 0.243 370 A C 0.626 178.115 177.584 -0.159 0.000 1.076 370 A CA 0.346 52.397 52.037 0.024 0.000 0.773 370 A CB 0.528 19.523 19.000 -0.009 0.000 1.010 370 A HN 1.677 nan 8.150 nan 0.000 0.493 371 L N 2.510 123.502 121.223 -0.384 0.000 2.455 371 L HA 0.273 4.614 4.340 0.001 0.000 0.272 371 L C 0.457 177.072 176.870 -0.425 0.000 1.174 371 L CA 0.606 54.978 54.840 -0.779 0.000 0.869 371 L CB 0.123 41.861 42.059 -0.536 0.000 1.130 371 L HN 0.721 nan 8.230 nan 0.000 0.474 372 L N 2.671 123.632 121.223 -0.435 0.000 2.624 372 L HA 0.383 4.723 4.340 0.001 0.000 0.222 372 L C 0.122 176.785 176.870 -0.345 0.000 1.046 372 L CA -0.090 54.565 54.840 -0.308 0.000 0.872 372 L CB 0.041 41.933 42.059 -0.278 0.000 1.190 372 L HN 0.592 nan 8.230 nan 0.000 0.487 373 K N 0.467 120.591 120.400 -0.459 0.000 2.542 373 K HA 0.523 4.844 4.320 0.001 0.000 0.259 373 K C -1.691 174.510 176.600 -0.665 0.000 0.932 373 K CA -0.232 55.735 56.287 -0.533 0.000 0.820 373 K CB 1.858 33.973 32.500 -0.641 0.000 1.345 373 K HN -0.060 nan 8.250 nan 0.000 0.432 374 I N 4.429 124.679 120.570 -0.533 0.000 2.354 374 I HA 0.384 4.554 4.170 0.001 0.000 0.292 374 I C -0.677 175.169 176.117 -0.452 0.000 0.989 374 I CA -0.855 60.176 61.300 -0.447 0.000 1.188 374 I CB 0.799 38.646 38.000 -0.255 0.000 1.342 374 I HN 0.464 nan 8.210 nan 0.000 0.457 375 F N 7.646 127.496 119.950 -0.166 0.000 2.375 375 F HA 0.321 4.849 4.527 0.001 0.000 0.362 375 F C -1.732 173.960 175.800 -0.181 0.000 1.129 375 F CA -2.830 55.061 58.000 -0.181 0.000 1.154 375 F CB 0.081 38.920 39.000 -0.269 0.000 1.205 375 F HN 0.240 nan 8.300 nan 0.000 0.513 376 P HA 0.216 nan 4.420 nan 0.000 0.268 376 P C -0.858 176.359 177.300 -0.137 0.000 1.204 376 P CA 0.181 63.237 63.100 -0.073 0.000 0.768 376 P CB 1.307 32.965 31.700 -0.069 0.000 0.842 377 L N 1.592 122.737 121.223 -0.130 0.000 2.424 377 L HA 0.405 4.745 4.340 0.001 0.000 0.258 377 L C 0.656 177.410 176.870 -0.193 0.000 0.995 377 L CA -1.117 53.574 54.840 -0.249 0.000 0.821 377 L CB 2.117 44.104 42.059 -0.121 0.000 1.383 377 L HN 0.245 nan 8.230 nan 0.000 0.410 378 E N 0.594 120.570 120.200 -0.374 0.000 2.620 378 E HA 0.238 4.588 4.350 0.001 0.000 0.255 378 E C -0.631 176.104 176.600 0.225 0.000 1.346 378 E CA -0.534 55.830 56.400 -0.060 0.000 1.013 378 E CB 1.046 30.731 29.700 -0.024 0.000 1.131 378 E HN 0.177 nan 8.360 nan 0.000 0.608 379 V N 1.001 121.091 119.914 0.294 0.000 2.446 379 V HA 0.431 4.551 4.120 0.001 0.000 0.276 379 V C 0.850 177.154 176.094 0.350 0.000 1.030 379 V CA 1.312 63.795 62.300 0.306 0.000 1.033 379 V CB 0.031 31.998 31.823 0.239 0.000 0.993 379 V HN 0.800 nan 8.190 nan 0.000 0.477 380 G N 4.287 113.249 108.800 0.270 0.000 2.441 380 G HA2 0.420 4.381 3.960 0.001 0.000 0.225 380 G HA3 0.420 4.381 3.960 0.001 0.000 0.225 380 G C -0.994 173.832 174.900 -0.123 0.000 1.200 380 G CA -0.174 44.845 45.100 -0.135 0.000 0.947 380 G HN 0.594 nan 8.290 nan 0.000 0.484 381 S N -1.324 114.145 115.700 -0.384 0.000 2.570 381 S HA 0.678 5.149 4.470 0.001 0.000 0.286 381 S C -0.751 173.843 174.600 -0.009 0.000 1.099 381 S CA -0.492 57.634 58.200 -0.124 0.000 0.913 381 S CB 2.071 65.182 63.200 -0.149 0.000 1.085 381 S HN 0.837 nan 8.310 nan 0.000 0.480 382 V N 3.089 123.122 119.914 0.199 0.000 2.348 382 V HA 0.229 4.350 4.120 0.001 0.000 0.270 382 V C 0.811 177.067 176.094 0.269 0.000 1.037 382 V CA -0.291 62.216 62.300 0.345 0.000 0.872 382 V CB 0.997 33.098 31.823 0.463 0.000 1.002 382 V HN 0.851 nan 8.190 nan 0.000 0.464 383 V N 1.985 122.024 119.914 0.208 0.000 3.528 383 V HA 0.708 4.828 4.120 0.001 0.000 0.294 383 V C 0.635 176.813 176.094 0.140 0.000 1.404 383 V CA 0.543 62.923 62.300 0.134 0.000 1.065 383 V CB 0.191 32.060 31.823 0.076 0.000 0.904 383 V HN 0.786 nan 8.190 nan 0.000 0.435 384 G N -0.616 108.316 108.800 0.219 0.000 2.720 384 G HA2 0.616 4.577 3.960 0.001 0.000 0.295 384 G HA3 0.616 4.577 3.960 0.001 0.000 0.295 384 G C -2.226 172.865 174.900 0.319 0.000 1.437 384 G CA -0.732 44.493 45.100 0.208 0.000 0.886 384 G HN 0.454 nan 8.290 nan 0.000 0.509 385 Y N 0.785 121.143 120.300 0.095 0.000 2.565 385 Y HA 0.670 5.220 4.550 0.001 0.000 0.330 385 Y C -0.825 175.157 175.900 0.138 0.000 1.150 385 Y CA -0.580 57.610 58.100 0.150 0.000 1.055 385 Y CB 2.006 40.440 38.460 -0.043 0.000 1.337 385 Y HN 1.185 nan 8.280 nan 0.000 0.457 386 S N 2.880 118.092 115.700 -0.813 0.000 2.536 386 S HA 0.898 5.369 4.470 0.001 0.000 0.271 386 S C -0.650 173.533 174.600 -0.695 0.000 1.134 386 S CA -0.332 57.586 58.200 -0.470 0.000 0.897 386 S CB 1.552 64.793 63.200 0.069 0.000 1.094 386 S HN 2.022 nan 8.310 nan 0.000 0.473 387 G N 2.190 110.860 108.800 -0.218 0.000 2.145 387 G HA2 0.216 4.176 3.960 0.001 0.000 0.174 387 G HA3 0.216 4.176 3.960 0.001 0.000 0.174 387 G C -1.128 173.921 174.900 0.249 0.000 1.726 387 G CA -0.885 44.243 45.100 0.047 0.000 1.080 387 G HN 0.755 nan 8.290 nan 0.000 0.606 388 Q N 0.875 120.791 119.800 0.193 0.000 2.171 388 Q HA 0.463 4.803 4.340 0.001 0.000 0.217 388 Q C 1.591 177.687 176.000 0.160 0.000 0.995 388 Q CA -0.780 55.136 55.803 0.189 0.000 0.979 388 Q CB 1.660 30.492 28.738 0.157 0.000 1.152 388 Q HN 0.463 nan 8.270 nan 0.000 0.525 389 K N 0.892 121.373 120.400 0.136 0.000 2.074 389 K HA -0.219 4.101 4.320 0.001 0.000 0.209 389 K C 1.560 178.208 176.600 0.080 0.000 1.048 389 K CA 2.007 58.354 56.287 0.099 0.000 0.926 389 K CB 0.059 32.608 32.500 0.081 0.000 0.713 389 K HN 0.463 nan 8.250 nan 0.000 0.444 390 K N -0.323 120.127 120.400 0.083 0.000 2.459 390 K HA 0.035 4.356 4.320 0.001 0.000 0.193 390 K C -0.271 176.364 176.600 0.058 0.000 1.030 390 K CA 0.206 56.529 56.287 0.060 0.000 1.026 390 K CB 0.207 32.739 32.500 0.054 0.000 0.809 390 K HN -0.019 nan 8.250 nan 0.000 0.504 391 D N 2.389 122.838 120.400 0.081 0.000 2.339 391 D HA -0.008 4.632 4.640 0.001 0.000 0.245 391 D C 0.564 176.922 176.300 0.096 0.000 1.115 391 D CA 0.359 54.413 54.000 0.090 0.000 0.917 391 D CB 1.755 42.627 40.800 0.120 0.000 1.192 391 D HN 0.280 nan 8.370 nan 0.000 0.428 392 T N -2.167 112.444 114.554 0.095 0.000 3.174 392 T HA 0.227 4.577 4.350 0.001 0.000 0.269 392 T C 0.238 174.993 174.700 0.091 0.000 1.017 392 T CA -0.508 61.646 62.100 0.090 0.000 0.899 392 T CB -0.010 68.898 68.868 0.067 0.000 1.077 392 T HN 0.579 nan 8.240 nan 0.000 0.552 393 E N 0.902 121.158 120.200 0.094 0.000 2.423 393 E HA 0.611 4.962 4.350 0.001 0.000 0.280 393 E C -1.381 175.222 176.600 0.005 0.000 1.030 393 E CA -1.405 54.994 56.400 -0.002 0.000 0.812 393 E CB 1.621 31.328 29.700 0.012 0.000 1.313 393 E HN 0.398 nan 8.360 nan 0.000 0.456 394 I N -1.854 118.630 120.570 -0.142 0.000 2.828 394 I HA 0.736 4.906 4.170 0.001 0.000 0.302 394 I C -1.475 174.512 176.117 -0.217 0.000 1.101 394 I CA -1.177 60.075 61.300 -0.080 0.000 1.031 394 I CB 1.694 39.732 38.000 0.064 0.000 1.231 394 I HN 0.437 nan 8.210 nan 0.000 0.427 395 F N 3.481 123.412 119.950 -0.032 0.000 2.565 395 F HA 0.700 5.228 4.527 0.001 0.000 0.313 395 F C -0.889 174.988 175.800 0.128 0.000 1.091 395 F CA -0.541 57.449 58.000 -0.017 0.000 0.915 395 F CB 2.231 41.191 39.000 -0.067 0.000 1.208 395 F HN 0.543 nan 8.300 nan 0.000 0.453 396 Y N -0.098 120.380 120.300 0.297 0.000 2.513 396 Y HA 0.609 5.160 4.550 0.001 0.000 0.340 396 Y C -1.319 174.813 175.900 0.387 0.000 1.055 396 Y CA -1.370 56.938 58.100 0.346 0.000 1.020 396 Y CB 1.252 39.938 38.460 0.377 0.000 1.301 396 Y HN 0.634 nan 8.280 nan 0.000 0.453 397 Q N 3.314 123.403 119.800 0.482 0.000 2.316 397 Q HA 0.576 4.916 4.340 0.001 0.000 0.264 397 Q C -2.096 174.184 176.000 0.467 0.000 0.987 397 Q CA -0.859 55.174 55.803 0.383 0.000 0.852 397 Q CB 1.687 30.593 28.738 0.280 0.000 1.287 397 Q HN 0.769 nan 8.270 nan 0.000 0.448 398 F N 2.202 122.322 119.950 0.284 0.000 2.508 398 F HA 0.693 5.220 4.527 0.001 0.000 0.325 398 F C -0.864 175.023 175.800 0.145 0.000 1.090 398 F CA -0.243 57.915 58.000 0.262 0.000 0.945 398 F CB 2.282 41.508 39.000 0.378 0.000 1.156 398 F HN 0.523 nan 8.300 nan 0.000 0.463 399 T N 2.845 116.932 114.554 -0.777 0.000 2.864 399 T HA 0.758 5.108 4.350 0.001 0.000 0.299 399 T C -1.266 172.912 174.700 -0.870 0.000 1.166 399 T CA -0.032 61.732 62.100 -0.560 0.000 1.007 399 T CB 1.321 70.070 68.868 -0.197 0.000 1.219 399 T HN 1.063 nan 8.240 nan 0.000 0.506 400 S N 0.739 116.175 115.700 -0.440 0.000 2.688 400 S HA 0.555 5.026 4.470 0.001 0.000 0.275 400 S C 0.126 174.625 174.600 -0.168 0.000 1.175 400 S CA -0.715 57.252 58.200 -0.389 0.000 0.818 400 S CB 0.344 63.457 63.200 -0.146 0.000 1.157 400 S HN 0.454 nan 8.310 nan 0.000 0.482 401 F N 0.449 120.369 119.950 -0.050 0.000 2.216 401 F HA 0.203 4.730 4.527 0.001 0.000 0.300 401 F C 1.761 177.632 175.800 0.119 0.000 1.085 401 F CA 1.210 59.200 58.000 -0.016 0.000 1.326 401 F CB -0.431 38.512 39.000 -0.094 0.000 1.027 401 F HN 0.375 nan 8.300 nan 0.000 0.497 402 L N -1.368 120.048 121.223 0.321 0.000 2.664 402 L HA 0.215 4.555 4.340 0.001 0.000 0.233 402 L C 0.458 177.454 176.870 0.209 0.000 1.113 402 L CA -0.069 54.950 54.840 0.299 0.000 0.896 402 L CB -0.097 42.097 42.059 0.225 0.000 1.163 402 L HN -0.015 nan 8.230 nan 0.000 0.497 403 S N -1.711 114.029 115.700 0.068 0.000 2.502 403 S HA 0.468 4.938 4.470 0.001 0.000 0.304 403 S C -2.281 171.957 174.600 -0.604 0.000 1.097 403 S CA -1.309 56.763 58.200 -0.215 0.000 1.045 403 S CB 2.160 65.357 63.200 -0.005 0.000 1.019 403 S HN -0.230 nan 8.310 nan 0.000 0.481 404 P HA 0.182 nan 4.420 nan 0.000 0.219 404 P C 0.722 177.853 177.300 -0.282 0.000 1.146 404 P CA 1.685 64.194 63.100 -0.985 0.000 0.808 404 P CB -0.251 30.929 31.700 -0.867 0.000 0.779 405 G N -1.398 107.302 108.800 -0.167 0.000 2.375 405 G HA2 0.089 4.049 3.960 0.001 0.000 0.663 405 G HA3 0.089 4.049 3.960 0.001 0.000 0.663 405 G C -1.546 173.371 174.900 0.029 0.000 1.391 405 G CA -0.896 44.210 45.100 0.011 0.000 0.949 405 G HN 0.022 nan 8.290 nan 0.000 0.646 406 I N 0.707 121.326 120.570 0.081 0.000 2.545 406 I HA 0.529 4.699 4.170 0.001 0.000 0.292 406 I C 0.004 176.034 176.117 -0.145 0.000 1.040 406 I CA -1.027 60.194 61.300 -0.132 0.000 1.068 406 I CB 2.218 39.993 38.000 -0.376 0.000 1.251 406 I HN 0.399 nan 8.210 nan 0.000 0.424 407 I N 5.602 126.059 120.570 -0.189 0.000 2.339 407 I HA 0.328 4.499 4.170 0.001 0.000 0.290 407 I C -0.978 175.012 176.117 -0.211 0.000 0.994 407 I CA -0.476 60.789 61.300 -0.058 0.000 1.191 407 I CB 1.013 39.078 38.000 0.107 0.000 1.343 407 I HN 0.385 nan 8.210 nan 0.000 0.458 408 Y N 4.626 124.780 120.300 -0.242 0.000 2.496 408 Y HA 0.471 5.022 4.550 0.001 0.000 0.331 408 Y C 0.160 175.830 175.900 -0.384 0.000 1.140 408 Y CA -0.493 57.357 58.100 -0.416 0.000 1.166 408 Y CB 1.296 39.187 38.460 -0.948 0.000 1.249 408 Y HN 0.464 nan 8.280 nan 0.000 0.479 409 H N 0.928 119.844 119.070 -0.256 0.000 2.806 409 H HA 0.561 5.118 4.556 0.001 0.000 0.367 409 H C -1.767 173.354 175.328 -0.345 0.000 1.136 409 H CA -0.758 54.960 56.048 -0.550 0.000 1.178 409 H CB 2.167 31.507 29.762 -0.702 0.000 1.718 409 H HN 0.807 nan 8.280 nan 0.000 0.540 410 C N 5.150 123.890 119.300 -0.934 0.000 2.505 410 C HA 0.174 4.634 4.460 0.001 0.000 0.342 410 C C -0.777 173.817 174.990 -0.660 0.000 1.121 410 C CA -0.694 57.958 59.018 -0.609 0.000 1.306 410 C CB 0.497 28.074 27.740 -0.272 0.000 1.897 410 C HN 0.886 nan 8.230 nan 0.000 0.446 411 D N 4.277 124.370 120.400 -0.511 0.000 2.336 411 D HA 0.206 4.846 4.640 0.001 0.000 0.249 411 D C 0.839 177.096 176.300 -0.071 0.000 1.213 411 D CA -0.029 53.816 54.000 -0.258 0.000 0.870 411 D CB 0.784 41.505 40.800 -0.131 0.000 1.076 411 D HN 0.696 nan 8.370 nan 0.000 0.483 412 L N 3.048 124.280 121.223 0.015 0.000 2.599 412 L HA -0.003 4.337 4.340 0.001 0.000 0.230 412 L C 2.126 179.104 176.870 0.180 0.000 1.141 412 L CA 0.581 55.520 54.840 0.164 0.000 0.877 412 L CB -0.297 41.944 42.059 0.304 0.000 1.009 412 L HN 0.476 nan 8.230 nan 0.000 0.447 413 T N -4.333 110.275 114.554 0.091 0.000 3.081 413 T HA 0.047 4.397 4.350 0.001 0.000 0.255 413 T C 0.942 175.680 174.700 0.063 0.000 1.113 413 T CA -0.090 62.052 62.100 0.070 0.000 1.082 413 T CB 0.044 68.939 68.868 0.045 0.000 0.939 413 T HN -0.088 nan 8.240 nan 0.000 0.506 414 K N 1.988 122.424 120.400 0.059 0.000 2.276 414 K HA 0.302 4.622 4.320 0.001 0.000 0.283 414 K C 0.963 177.597 176.600 0.058 0.000 1.044 414 K CA -0.204 56.109 56.287 0.044 0.000 0.944 414 K CB 1.615 34.129 32.500 0.023 0.000 1.012 414 K HN 0.089 nan 8.250 nan 0.000 0.472 415 E N 1.703 121.929 120.200 0.044 0.000 2.058 415 E HA -0.171 4.180 4.350 0.001 0.000 0.194 415 E C -0.242 176.378 176.600 0.033 0.000 0.997 415 E CA 1.608 58.034 56.400 0.044 0.000 0.801 415 E CB 0.269 29.985 29.700 0.027 0.000 0.746 415 E HN 0.351 nan 8.360 nan 0.000 0.450 416 E N 0.554 120.765 120.200 0.019 0.000 2.046 416 E HA 0.159 4.510 4.350 0.001 0.000 0.279 416 E C -0.614 175.992 176.600 0.010 0.000 0.989 416 E CA -0.250 56.153 56.400 0.005 0.000 0.798 416 E CB 0.685 30.385 29.700 -0.001 0.000 1.086 416 E HN 0.227 nan 8.360 nan 0.000 0.399 417 L N 3.215 124.442 121.223 0.008 0.000 2.361 417 L HA 0.182 4.523 4.340 0.001 0.000 0.278 417 L C 0.479 177.372 176.870 0.040 0.000 1.113 417 L CA 0.373 55.231 54.840 0.031 0.000 0.849 417 L CB 0.289 42.372 42.059 0.040 0.000 1.155 417 L HN 0.278 nan 8.230 nan 0.000 0.452 418 E N 5.282 125.504 120.200 0.037 0.000 2.373 418 E HA 0.271 4.621 4.350 0.001 0.000 0.251 418 E C -2.432 174.187 176.600 0.032 0.000 0.923 418 E CA -1.741 54.681 56.400 0.037 0.000 0.798 418 E CB 1.662 31.370 29.700 0.015 0.000 1.303 418 E HN 0.373 nan 8.360 nan 0.000 0.412 419 P HA 0.107 nan 4.420 nan 0.000 0.271 419 P C -0.626 176.715 177.300 0.069 0.000 1.216 419 P CA -0.103 63.016 63.100 0.031 0.000 0.776 419 P CB 1.050 32.787 31.700 0.062 0.000 0.881 420 R N 1.037 121.589 120.500 0.087 0.000 2.744 420 R HA 0.475 4.816 4.340 0.001 0.000 0.279 420 R C -0.696 175.699 176.300 0.158 0.000 0.977 420 R CA -1.307 54.867 56.100 0.123 0.000 0.906 420 R CB 1.829 32.173 30.300 0.073 0.000 1.197 420 R HN 0.191 nan 8.270 nan 0.000 0.463 421 V N 3.233 123.190 119.914 0.072 0.000 2.529 421 V HA -0.048 4.072 4.120 0.001 0.000 0.292 421 V C 0.449 176.513 176.094 -0.049 0.000 1.028 421 V CA 0.782 63.009 62.300 -0.122 0.000 1.074 421 V CB 0.255 31.971 31.823 -0.177 0.000 0.958 421 V HN 0.692 nan 8.190 nan 0.000 0.481 422 F N 4.894 124.713 119.950 -0.219 0.000 2.500 422 F HA 0.437 4.964 4.527 0.001 0.000 0.285 422 F C 0.981 176.608 175.800 -0.288 0.000 1.088 422 F CA 0.085 57.961 58.000 -0.207 0.000 1.432 422 F CB 0.433 39.361 39.000 -0.121 0.000 1.131 422 F HN 0.453 nan 8.300 nan 0.000 0.582 423 R N 0.932 121.280 120.500 -0.254 0.000 2.604 423 R HA 0.407 4.747 4.340 0.001 0.000 0.270 423 R C -1.916 174.236 176.300 -0.246 0.000 1.052 423 R CA -0.500 55.376 56.100 -0.373 0.000 0.902 423 R CB 1.429 31.457 30.300 -0.454 0.000 1.233 423 R HN 0.215 nan 8.270 nan 0.000 0.455 424 E N 2.700 122.771 120.200 -0.215 0.000 2.335 424 E HA 0.548 4.898 4.350 0.001 0.000 0.280 424 E C -1.739 174.807 176.600 -0.090 0.000 0.918 424 E CA -0.918 55.396 56.400 -0.144 0.000 0.765 424 E CB 2.017 31.621 29.700 -0.160 0.000 1.218 424 E HN 0.442 nan 8.360 nan 0.000 0.425 425 V N 0.462 120.344 119.914 -0.054 0.000 2.760 425 V HA 0.808 4.929 4.120 0.001 0.000 0.309 425 V C -0.483 175.543 176.094 -0.112 0.000 1.077 425 V CA -0.309 61.975 62.300 -0.026 0.000 0.910 425 V CB 1.292 33.175 31.823 0.101 0.000 1.008 425 V HN 0.740 nan 8.190 nan 0.000 0.424 426 T N 0.780 115.272 114.554 -0.104 0.000 2.888 426 T HA 0.755 5.106 4.350 0.001 0.000 0.284 426 T C -0.454 174.155 174.700 -0.153 0.000 1.017 426 T CA -0.784 61.227 62.100 -0.149 0.000 1.022 426 T CB 1.731 70.548 68.868 -0.085 0.000 1.013 426 T HN 0.875 nan 8.240 nan 0.000 0.465 427 V N 3.158 122.956 119.914 -0.193 0.000 2.348 427 V HA 0.294 4.414 4.120 0.001 0.000 0.270 427 V C 0.560 176.649 176.094 -0.007 0.000 1.037 427 V CA -0.693 61.535 62.300 -0.120 0.000 0.872 427 V CB 0.605 32.354 31.823 -0.124 0.000 1.002 427 V HN 0.831 nan 8.190 nan 0.000 0.464 428 K N 3.749 124.163 120.400 0.022 0.000 2.378 428 K HA 0.472 4.792 4.320 0.001 0.000 0.288 428 K C 1.072 177.710 176.600 0.064 0.000 1.057 428 K CA 0.793 57.104 56.287 0.039 0.000 0.971 428 K CB 0.673 33.196 32.500 0.039 0.000 0.975 428 K HN 1.017 nan 8.250 nan 0.000 0.475 429 G N 3.044 111.885 108.800 0.068 0.000 2.624 429 G HA2 -0.121 3.840 3.960 0.001 0.000 0.190 429 G HA3 -0.121 3.840 3.960 0.001 0.000 0.190 429 G C -0.223 174.739 174.900 0.102 0.000 1.008 429 G CA -0.685 44.469 45.100 0.091 0.000 0.731 429 G HN 0.460 nan 8.290 nan 0.000 0.478 430 I N 2.644 123.278 120.570 0.107 0.000 2.464 430 I HA 0.333 4.504 4.170 0.001 0.000 0.277 430 I C -1.097 175.120 176.117 0.167 0.000 1.040 430 I CA -1.044 60.348 61.300 0.154 0.000 1.153 430 I CB 1.075 39.163 38.000 0.146 0.000 1.274 430 I HN 0.101 nan 8.210 nan 0.000 0.469 431 D N 5.229 125.724 120.400 0.158 0.000 2.402 431 D HA 0.312 4.953 4.640 0.001 0.000 0.235 431 D C 1.287 177.671 176.300 0.140 0.000 1.226 431 D CA -0.011 54.039 54.000 0.084 0.000 0.918 431 D CB 1.393 42.189 40.800 -0.007 0.000 1.043 431 D HN 0.609 nan 8.370 nan 0.000 0.506 432 A N 3.077 126.001 122.820 0.174 0.000 2.032 432 A HA -0.218 4.103 4.320 0.001 0.000 0.221 432 A C 2.101 179.766 177.584 0.134 0.000 1.165 432 A CA 1.965 54.146 52.037 0.240 0.000 0.645 432 A CB -0.545 18.547 19.000 0.154 0.000 0.807 432 A HN 0.606 nan 8.150 nan 0.000 0.453 433 S N -0.569 115.138 115.700 0.012 0.000 2.515 433 S HA -0.081 4.389 4.470 0.001 0.000 0.231 433 S C 0.891 175.392 174.600 -0.165 0.000 0.987 433 S CA 1.054 59.226 58.200 -0.047 0.000 0.936 433 S CB -0.252 62.925 63.200 -0.038 0.000 0.766 433 S HN 0.501 nan 8.310 nan 0.000 0.528 434 D N 0.317 120.491 120.400 -0.377 0.000 2.347 434 D HA 0.187 4.827 4.640 0.001 0.000 0.213 434 D C -0.329 175.477 176.300 -0.822 0.000 0.985 434 D CA 0.543 54.150 54.000 -0.656 0.000 0.879 434 D CB 0.070 40.304 40.800 -0.943 0.000 0.919 434 D HN 0.519 nan 8.370 nan 0.000 0.526 435 Y N 0.139 120.416 120.300 -0.038 0.000 2.630 435 Y HA 0.446 4.996 4.550 0.001 0.000 0.337 435 Y C 0.354 176.204 175.900 -0.083 0.000 1.051 435 Y CA -1.284 56.773 58.100 -0.071 0.000 1.121 435 Y CB 1.121 39.544 38.460 -0.061 0.000 1.299 435 Y HN -0.290 nan 8.280 nan 0.000 0.498 436 Q N -0.661 119.135 119.800 -0.006 0.000 2.379 436 Q HA 0.730 5.070 4.340 0.001 0.000 0.278 436 Q C -1.737 174.195 176.000 -0.112 0.000 1.068 436 Q CA -1.069 54.698 55.803 -0.060 0.000 0.816 436 Q CB 2.373 31.052 28.738 -0.098 0.000 1.387 436 Q HN 0.593 nan 8.270 nan 0.000 0.413 437 T N 1.660 116.215 114.554 0.002 0.000 2.792 437 T HA 0.574 4.924 4.350 0.001 0.000 0.280 437 T C -0.477 174.291 174.700 0.113 0.000 0.990 437 T CA -0.574 61.546 62.100 0.034 0.000 0.960 437 T CB 1.328 70.272 68.868 0.127 0.000 0.939 437 T HN 0.573 nan 8.240 nan 0.000 0.439 438 V N 1.790 121.786 119.914 0.137 0.000 2.823 438 V HA 0.732 4.853 4.120 0.001 0.000 0.312 438 V C -0.852 175.360 176.094 0.198 0.000 1.072 438 V CA -1.086 61.325 62.300 0.184 0.000 0.937 438 V CB 1.993 33.938 31.823 0.203 0.000 1.013 438 V HN 0.864 nan 8.190 nan 0.000 0.430 439 Q N 2.876 122.766 119.800 0.151 0.000 2.331 439 Q HA 0.744 5.085 4.340 0.001 0.000 0.267 439 Q C -1.117 174.801 176.000 -0.135 0.000 1.006 439 Q CA -0.756 55.014 55.803 -0.054 0.000 0.818 439 Q CB 1.893 30.573 28.738 -0.096 0.000 1.276 439 Q HN 0.981 nan 8.270 nan 0.000 0.450 440 I N -0.458 119.933 120.570 -0.298 0.000 3.067 440 I HA 0.678 4.848 4.170 0.001 0.000 0.312 440 I C -1.493 174.290 176.117 -0.558 0.000 1.073 440 I CA -0.836 60.338 61.300 -0.211 0.000 1.016 440 I CB 1.613 39.578 38.000 -0.058 0.000 1.227 440 I HN 0.417 nan 8.210 nan 0.000 0.456 441 F N 3.175 123.078 119.950 -0.078 0.000 2.499 441 F HA 0.579 5.106 4.527 0.001 0.000 0.333 441 F C -0.782 174.955 175.800 -0.106 0.000 1.138 441 F CA -0.489 57.434 58.000 -0.129 0.000 0.945 441 F CB 1.565 40.500 39.000 -0.108 0.000 1.181 441 F HN 0.525 nan 8.300 nan 0.000 0.435 442 Y N 2.458 122.718 120.300 -0.068 0.000 2.446 442 Y HA 0.818 5.368 4.550 0.001 0.000 0.338 442 Y C -3.105 172.830 175.900 0.058 0.000 1.055 442 Y CA -3.854 54.215 58.100 -0.052 0.000 1.101 442 Y CB 1.085 39.397 38.460 -0.247 0.000 1.221 442 Y HN 0.256 nan 8.280 nan 0.000 0.460 443 P HA 0.111 nan 4.420 nan 0.000 0.286 443 P C -0.309 177.106 177.300 0.191 0.000 1.269 443 P CA -0.122 63.042 63.100 0.107 0.000 0.787 443 P CB 2.039 33.807 31.700 0.113 0.000 0.920 444 S N 2.284 118.039 115.700 0.091 0.000 2.632 444 S HA 0.142 4.613 4.470 0.001 0.000 0.267 444 S C 1.559 176.213 174.600 0.091 0.000 1.193 444 S CA -0.389 57.893 58.200 0.136 0.000 1.003 444 S CB 0.215 63.447 63.200 0.053 0.000 1.073 444 S HN 0.321 nan 8.310 nan 0.000 0.553 445 K N 0.399 120.843 120.400 0.072 0.000 2.044 445 K HA -0.160 4.160 4.320 0.001 0.000 0.210 445 K C 1.153 177.768 176.600 0.025 0.000 1.049 445 K CA 2.007 58.322 56.287 0.047 0.000 0.927 445 K CB -0.421 32.100 32.500 0.035 0.000 0.713 445 K HN 0.734 nan 8.250 nan 0.000 0.443 446 D N -1.426 118.977 120.400 0.004 0.000 2.328 446 D HA 0.030 4.671 4.640 0.001 0.000 0.226 446 D C 1.004 177.301 176.300 -0.005 0.000 1.066 446 D CA 0.780 54.774 54.000 -0.010 0.000 0.861 446 D CB 0.343 41.122 40.800 -0.035 0.000 0.912 446 D HN 0.346 nan 8.370 nan 0.000 0.521 447 G N -0.537 108.269 108.800 0.010 0.000 2.217 447 G HA2 -0.278 3.683 3.960 0.001 0.000 0.246 447 G HA3 -0.278 3.683 3.960 0.001 0.000 0.246 447 G C 0.492 175.393 174.900 0.001 0.000 0.990 447 G CA 0.231 45.339 45.100 0.013 0.000 0.627 447 G HN 0.457 nan 8.290 nan 0.000 0.522 448 T N 3.338 117.883 114.554 -0.014 0.000 2.902 448 T HA 0.391 4.741 4.350 0.001 0.000 0.301 448 T C 0.454 175.145 174.700 -0.015 0.000 1.012 448 T CA 0.244 62.337 62.100 -0.012 0.000 1.151 448 T CB 0.954 69.800 68.868 -0.037 0.000 0.946 448 T HN 0.171 nan 8.240 nan 0.000 0.542 449 K N 3.788 124.186 120.400 -0.003 0.000 2.297 449 K HA 0.308 4.629 4.320 0.001 0.000 0.286 449 K C -0.118 176.502 176.600 0.033 0.000 1.053 449 K CA -0.422 55.851 56.287 -0.023 0.000 0.940 449 K CB 0.611 33.098 32.500 -0.021 0.000 1.019 449 K HN 0.417 nan 8.250 nan 0.000 0.475 450 I N 5.262 125.694 120.570 -0.229 0.000 2.404 450 I HA 0.336 4.506 4.170 0.001 0.000 0.293 450 I C -2.315 173.627 176.117 -0.293 0.000 0.992 450 I CA -3.258 57.925 61.300 -0.195 0.000 1.149 450 I CB 1.270 38.909 38.000 -0.602 0.000 1.315 450 I HN 0.171 nan 8.210 nan 0.000 0.446 451 P HA 0.465 nan 4.420 nan 0.000 0.277 451 P C -0.752 176.355 177.300 -0.323 0.000 1.240 451 P CA -0.554 62.248 63.100 -0.497 0.000 0.798 451 P CB 0.981 32.454 31.700 -0.379 0.000 0.979 452 M N 2.431 121.758 119.600 -0.455 0.000 2.322 452 M HA 0.461 4.941 4.480 0.001 0.000 0.285 452 M C -1.900 174.226 176.300 -0.290 0.000 1.119 452 M CA -0.550 54.624 55.300 -0.209 0.000 0.953 452 M CB 1.123 33.720 32.600 -0.004 0.000 1.701 452 M HN 0.004 nan 8.290 nan 0.000 0.479 453 F N 4.995 124.933 119.950 -0.021 0.000 2.385 453 F HA 0.659 5.187 4.527 0.001 0.000 0.336 453 F C -0.190 175.528 175.800 -0.137 0.000 1.100 453 F CA -0.317 57.653 58.000 -0.051 0.000 1.116 453 F CB 1.195 40.211 39.000 0.027 0.000 1.166 453 F HN 0.371 nan 8.300 nan 0.000 0.511 454 I N 3.251 123.856 120.570 0.058 0.000 2.533 454 I HA 0.461 4.632 4.170 0.001 0.000 0.290 454 I C -1.302 174.787 176.117 -0.047 0.000 1.056 454 I CA -0.933 60.346 61.300 -0.035 0.000 1.057 454 I CB 2.115 40.053 38.000 -0.103 0.000 1.240 454 I HN 0.115 nan 8.210 nan 0.000 0.423 455 V N 5.465 125.320 119.914 -0.098 0.000 2.487 455 V HA 0.568 4.688 4.120 0.001 0.000 0.298 455 V C -0.825 175.281 176.094 0.019 0.000 1.028 455 V CA -0.500 61.716 62.300 -0.141 0.000 0.860 455 V CB 1.453 33.102 31.823 -0.290 0.000 0.991 455 V HN 0.964 nan 8.190 nan 0.000 0.427 456 H N 1.542 120.645 119.070 0.055 0.000 2.990 456 H HA 0.596 5.152 4.556 0.001 0.000 0.336 456 H C -0.747 174.686 175.328 0.174 0.000 1.306 456 H CA -1.155 54.942 56.048 0.081 0.000 1.118 456 H CB 1.284 31.093 29.762 0.079 0.000 1.856 456 H HN 0.464 nan 8.280 nan 0.000 0.538 457 K N 1.543 122.139 120.400 0.328 0.000 2.401 457 K HA 0.114 4.434 4.320 0.001 0.000 0.278 457 K C -0.488 176.228 176.600 0.193 0.000 1.018 457 K CA -0.443 55.979 56.287 0.224 0.000 0.981 457 K CB 0.478 33.041 32.500 0.105 0.000 0.933 457 K HN 0.608 nan 8.250 nan 0.000 0.477 458 K N 1.459 121.876 120.400 0.029 0.000 2.414 458 K HA 0.007 4.327 4.320 0.001 0.000 0.272 458 K C 0.754 177.389 176.600 0.059 0.000 0.993 458 K CA 0.937 57.255 56.287 0.051 0.000 0.964 458 K CB 0.382 32.865 32.500 -0.030 0.000 0.925 458 K HN 0.941 nan 8.250 nan 0.000 0.487 459 G N 2.044 110.895 108.800 0.085 0.000 2.148 459 G HA2 -0.270 3.691 3.960 0.001 0.000 0.254 459 G HA3 -0.270 3.691 3.960 0.001 0.000 0.254 459 G C 0.267 175.176 174.900 0.015 0.000 0.981 459 G CA 0.483 45.606 45.100 0.039 0.000 0.670 459 G HN 0.726 nan 8.290 nan 0.000 0.528 460 I N -2.180 118.390 120.570 -0.000 0.000 2.779 460 I HA 0.596 4.766 4.170 0.001 0.000 0.285 460 I C 0.491 176.576 176.117 -0.052 0.000 1.134 460 I CA -0.626 60.630 61.300 -0.073 0.000 1.398 460 I CB 0.840 38.659 38.000 -0.301 0.000 1.404 460 I HN 0.020 nan 8.210 nan 0.000 0.587 461 K N 5.535 125.960 120.400 0.042 0.000 2.227 461 K HA 0.391 4.711 4.320 0.001 0.000 0.280 461 K C -0.533 176.098 176.600 0.051 0.000 1.041 461 K CA -0.646 55.656 56.287 0.024 0.000 0.905 461 K CB 0.979 33.495 32.500 0.028 0.000 1.068 461 K HN 0.715 nan 8.250 nan 0.000 0.470 462 L N 5.598 126.764 121.223 -0.094 0.000 2.437 462 L HA 0.064 4.404 4.340 0.001 0.000 0.243 462 L C 0.173 176.970 176.870 -0.120 0.000 1.346 462 L CA -0.116 54.617 54.840 -0.178 0.000 1.233 462 L CB -0.547 41.293 42.059 -0.366 0.000 1.436 462 L HN 0.688 nan 8.230 nan 0.000 0.416 463 D N -0.853 119.498 120.400 -0.081 0.000 2.402 463 D HA 0.101 4.741 4.640 0.001 0.000 0.216 463 D C 1.353 177.578 176.300 -0.125 0.000 1.128 463 D CA 0.239 54.176 54.000 -0.104 0.000 0.833 463 D CB 0.628 41.368 40.800 -0.101 0.000 0.971 463 D HN 0.375 nan 8.370 nan 0.000 0.503 464 G N 0.704 109.436 108.800 -0.115 0.000 2.168 464 G HA2 -0.364 3.597 3.960 0.001 0.000 0.263 464 G HA3 -0.364 3.597 3.960 0.001 0.000 0.263 464 G C 1.081 175.896 174.900 -0.142 0.000 0.977 464 G CA 0.813 45.861 45.100 -0.087 0.000 0.659 464 G HN 0.709 nan 8.290 nan 0.000 0.533 465 S N -0.208 115.294 115.700 -0.329 0.000 2.593 465 S HA 0.203 4.673 4.470 0.001 0.000 0.217 465 S C 0.768 175.149 174.600 -0.365 0.000 0.966 465 S CA 0.083 58.072 58.200 -0.351 0.000 0.914 465 S CB -0.012 62.963 63.200 -0.375 0.000 0.776 465 S HN 0.611 nan 8.310 nan 0.000 0.523 466 H N 3.168 122.254 119.070 0.027 0.000 2.502 466 H HA 0.431 4.987 4.556 0.001 0.000 0.327 466 H C -2.726 172.660 175.328 0.096 0.000 1.099 466 H CA -2.223 53.851 56.048 0.043 0.000 1.323 466 H CB 0.595 30.383 29.762 0.044 0.000 1.450 466 H HN 0.257 nan 8.280 nan 0.000 0.502 467 P HA 0.263 nan 4.420 nan 0.000 0.275 467 P C -0.840 176.719 177.300 0.432 0.000 1.228 467 P CA -0.355 62.922 63.100 0.295 0.000 0.786 467 P CB 1.147 33.020 31.700 0.288 0.000 0.927 468 A N 2.784 125.903 122.820 0.498 0.000 2.435 468 A HA 0.697 5.018 4.320 0.001 0.000 0.304 468 A C -1.722 176.167 177.584 0.508 0.000 1.064 468 A CA -0.597 51.751 52.037 0.518 0.000 0.727 468 A CB 1.198 20.383 19.000 0.309 0.000 1.284 468 A HN 0.481 nan 8.150 nan 0.000 0.415 469 F N 2.430 122.548 119.950 0.280 0.000 2.500 469 F HA 0.582 5.109 4.527 0.001 0.000 0.349 469 F C -1.116 174.760 175.800 0.127 0.000 1.127 469 F CA -0.879 57.145 58.000 0.040 0.000 0.998 469 F CB 1.438 40.256 39.000 -0.303 0.000 1.237 469 F HN 0.481 nan 8.300 nan 0.000 0.439 470 L N 8.105 129.276 121.223 -0.088 0.000 2.272 470 L HA 0.472 4.812 4.340 0.001 0.000 0.289 470 L C -1.916 175.006 176.870 0.087 0.000 1.032 470 L CA -0.647 54.204 54.840 0.017 0.000 0.810 470 L CB 0.825 42.823 42.059 -0.102 0.000 1.205 470 L HN 0.602 nan 8.230 nan 0.000 0.422 471 Y N 4.244 124.644 120.300 0.167 0.000 2.429 471 Y HA 0.830 5.380 4.550 0.001 0.000 0.342 471 Y C 0.052 176.179 175.900 0.378 0.000 1.004 471 Y CA -0.087 58.149 58.100 0.225 0.000 1.075 471 Y CB 1.987 40.601 38.460 0.256 0.000 1.214 471 Y HN 0.754 nan 8.280 nan 0.000 0.455 472 G N 3.597 112.095 108.800 -0.502 0.000 2.677 472 G HA2 0.374 4.334 3.960 0.001 0.000 0.291 472 G HA3 0.374 4.334 3.960 0.001 0.000 0.291 472 G C -1.866 172.662 174.900 -0.619 0.000 1.435 472 G CA -0.485 44.371 45.100 -0.408 0.000 0.826 472 G HN 0.658 nan 8.290 nan 0.000 0.491 473 F N 0.215 119.907 119.950 -0.430 0.000 1.941 473 F HA 0.533 5.060 4.527 0.001 0.000 0.230 473 F C 1.380 177.045 175.800 -0.226 0.000 1.181 473 F CA 1.538 59.355 58.000 -0.307 0.000 1.294 473 F CB 0.357 39.282 39.000 -0.125 0.000 1.748 473 F HN 1.556 nan 8.300 nan 0.000 0.419 474 G N 1.480 110.267 108.800 -0.021 0.000 2.546 474 G HA2 0.393 4.353 3.960 0.001 0.000 0.285 474 G HA3 0.393 4.353 3.960 0.001 0.000 0.285 474 G C -0.062 174.674 174.900 -0.273 0.000 1.105 474 G CA 0.309 45.316 45.100 -0.154 0.000 1.189 474 G HN 1.523 nan 8.290 nan 0.000 0.534 475 G N -1.112 107.662 108.800 -0.043 0.000 2.328 475 G HA2 0.611 4.571 3.960 0.001 0.000 0.299 475 G HA3 0.611 4.571 3.960 0.001 0.000 0.299 475 G C 0.025 175.052 174.900 0.212 0.000 1.435 475 G CA 0.163 45.197 45.100 -0.111 0.000 0.865 475 G HN 1.506 nan 8.290 nan 0.000 0.601 476 F N -0.406 119.532 119.950 -0.020 0.000 3.069 476 F HA -0.251 4.276 4.527 0.001 0.000 0.285 476 F C 1.309 176.915 175.800 -0.323 0.000 0.827 476 F CA 1.417 59.342 58.000 -0.127 0.000 1.108 476 F CB -1.498 37.483 39.000 -0.031 0.000 1.252 476 F HN 1.219 nan 8.300 nan 0.000 0.483 477 N N -0.035 118.398 118.700 -0.444 0.000 2.741 477 N HA -0.239 4.502 4.740 0.001 0.000 0.250 477 N C -0.361 175.126 175.510 -0.039 0.000 1.115 477 N CA 1.121 53.979 53.050 -0.320 0.000 0.724 477 N CB -0.928 37.281 38.487 -0.463 0.000 1.090 477 N HN 0.580 nan 8.380 nan 0.000 0.558 478 I N 0.584 121.203 120.570 0.082 0.000 2.325 478 I HA 0.160 4.331 4.170 0.001 0.000 0.291 478 I C 0.240 176.409 176.117 0.087 0.000 1.019 478 I CA -0.499 60.831 61.300 0.051 0.000 1.302 478 I CB 1.361 39.341 38.000 -0.033 0.000 1.401 478 I HN 0.068 nan 8.210 nan 0.000 0.485 479 S N 6.983 122.707 115.700 0.039 0.000 2.475 479 S HA 0.425 4.896 4.470 0.001 0.000 0.281 479 S C 0.049 174.689 174.600 0.067 0.000 1.198 479 S CA -0.541 57.693 58.200 0.058 0.000 1.063 479 S CB 0.816 64.018 63.200 0.003 0.000 0.972 479 S HN 0.278 nan 8.310 nan 0.000 0.486 480 I N 4.891 125.544 120.570 0.139 0.000 2.256 480 I HA 0.162 4.332 4.170 0.001 0.000 0.294 480 I C 1.153 177.399 176.117 0.216 0.000 1.127 480 I CA -0.200 61.213 61.300 0.188 0.000 1.247 480 I CB -0.872 37.316 38.000 0.314 0.000 1.460 480 I HN 0.586 nan 8.210 nan 0.000 0.511 481 T N 4.220 118.839 114.554 0.108 0.000 2.927 481 T HA 0.592 4.942 4.350 0.001 0.000 0.281 481 T C -2.593 172.005 174.700 -0.170 0.000 0.998 481 T CA -2.130 60.003 62.100 0.054 0.000 1.019 481 T CB 1.336 70.206 68.868 0.003 0.000 1.061 481 T HN 0.155 nan 8.240 nan 0.000 0.518 482 P HA 0.289 nan 4.420 nan 0.000 0.265 482 P C -0.535 176.291 177.300 -0.789 0.000 1.193 482 P CA -0.035 62.304 63.100 -1.268 0.000 0.765 482 P CB 0.274 31.148 31.700 -1.377 0.000 0.823 483 N N 1.550 119.800 118.700 -0.750 0.000 2.484 483 N HA 0.190 4.930 4.740 0.001 0.000 0.269 483 N C -1.829 173.602 175.510 -0.132 0.000 1.237 483 N CA -0.605 52.257 53.050 -0.312 0.000 0.838 483 N CB 1.136 39.530 38.487 -0.156 0.000 1.593 483 N HN 0.182 nan 8.380 nan 0.000 0.485 484 Y N 1.280 121.505 120.300 -0.124 0.000 2.393 484 Y HA 0.353 4.904 4.550 0.001 0.000 0.338 484 Y C -0.087 175.840 175.900 0.044 0.000 1.029 484 Y CA 0.166 58.252 58.100 -0.023 0.000 1.239 484 Y CB 0.520 38.976 38.460 -0.006 0.000 1.170 484 Y HN 0.311 nan 8.280 nan 0.000 0.515 485 S N 5.662 121.070 115.700 -0.487 0.000 2.774 485 S HA 0.330 4.800 4.470 0.001 0.000 0.297 485 S C 0.260 174.552 174.600 -0.514 0.000 1.143 485 S CA -0.733 57.253 58.200 -0.357 0.000 1.090 485 S CB 0.631 63.727 63.200 -0.174 0.000 1.019 485 S HN 0.630 nan 8.310 nan 0.000 0.482 486 V N 4.903 124.573 119.914 -0.406 0.000 2.407 486 V HA -0.148 3.972 4.120 0.001 0.000 0.248 486 V C 2.718 178.690 176.094 -0.203 0.000 1.055 486 V CA 2.526 64.676 62.300 -0.251 0.000 1.049 486 V CB -0.938 30.946 31.823 0.101 0.000 0.662 486 V HN 0.984 nan 8.190 nan 0.000 0.455 487 S N 0.665 116.265 115.700 -0.167 0.000 2.370 487 S HA -0.266 4.205 4.470 0.001 0.000 0.226 487 S C 2.054 176.491 174.600 -0.271 0.000 1.033 487 S CA 1.545 59.684 58.200 -0.101 0.000 1.011 487 S CB -0.508 62.728 63.200 0.059 0.000 0.852 487 S HN 0.594 nan 8.310 nan 0.000 0.457 488 R N 0.854 121.199 120.500 -0.257 0.000 2.090 488 R HA 0.226 4.567 4.340 0.001 0.000 0.228 488 R C 2.401 178.569 176.300 -0.219 0.000 1.110 488 R CA 1.209 57.136 56.100 -0.289 0.000 0.973 488 R CB -0.591 29.587 30.300 -0.204 0.000 0.869 488 R HN 0.396 nan 8.270 nan 0.000 0.440 489 L N 0.451 121.519 121.223 -0.259 0.000 2.131 489 L HA -0.150 4.190 4.340 0.001 0.000 0.210 489 L C 2.220 178.942 176.870 -0.246 0.000 1.092 489 L CA 1.100 55.764 54.840 -0.293 0.000 0.759 489 L CB -0.284 41.580 42.059 -0.324 0.000 0.903 489 L HN 0.201 nan 8.230 nan 0.000 0.435 490 I N -1.033 119.416 120.570 -0.203 0.000 2.394 490 I HA -0.312 3.858 4.170 0.001 0.000 0.251 490 I C 2.424 178.471 176.117 -0.116 0.000 1.136 490 I CA 1.145 62.364 61.300 -0.134 0.000 1.425 490 I CB -0.237 37.605 38.000 -0.262 0.000 1.079 490 I HN 0.175 nan 8.210 nan 0.000 0.425 491 F N 1.339 121.084 119.950 -0.342 0.000 2.134 491 F HA -0.190 4.338 4.527 0.001 0.000 0.299 491 F C 2.240 177.948 175.800 -0.154 0.000 1.097 491 F CA 1.564 59.399 58.000 -0.275 0.000 1.264 491 F CB -0.440 38.306 39.000 -0.424 0.000 1.001 491 F HN -0.223 nan 8.300 nan 0.000 0.479 492 V N 0.856 120.618 119.914 -0.254 0.000 2.244 492 V HA -0.269 3.851 4.120 0.001 0.000 0.244 492 V C 2.538 178.453 176.094 -0.299 0.000 1.042 492 V CA 2.294 64.407 62.300 -0.312 0.000 1.006 492 V CB -0.824 30.831 31.823 -0.279 0.000 0.641 492 V HN 0.279 nan 8.190 nan 0.000 0.446 493 R N -0.199 120.114 120.500 -0.311 0.000 2.066 493 R HA -0.105 4.236 4.340 0.001 0.000 0.232 493 R C 2.136 178.065 176.300 -0.619 0.000 1.131 493 R CA 1.818 57.693 56.100 -0.375 0.000 0.955 493 R CB -0.607 29.449 30.300 -0.405 0.000 0.851 493 R HN 0.637 nan 8.270 nan 0.000 0.432 494 H N -1.280 117.515 119.070 -0.458 0.000 2.551 494 H HA 0.258 4.814 4.556 0.001 0.000 0.271 494 H C 0.711 175.614 175.328 -0.708 0.000 0.984 494 H CA 0.691 56.242 56.048 -0.828 0.000 1.164 494 H CB 0.529 29.395 29.762 -1.492 0.000 1.437 494 H HN 0.254 nan 8.280 nan 0.000 0.550 495 M N -1.084 118.306 119.600 -0.351 0.000 2.340 495 M HA 0.224 4.704 4.480 0.001 0.000 0.345 495 M C 0.918 177.035 176.300 -0.304 0.000 1.008 495 M CA 0.056 55.224 55.300 -0.220 0.000 0.987 495 M CB 1.696 34.269 32.600 -0.044 0.000 1.598 495 M HN 0.198 nan 8.290 nan 0.000 0.569 496 G N 1.461 110.069 108.800 -0.319 0.000 2.283 496 G HA2 -0.212 3.749 3.960 0.001 0.000 0.280 496 G HA3 -0.212 3.749 3.960 0.001 0.000 0.280 496 G C 0.264 174.994 174.900 -0.283 0.000 1.029 496 G CA 0.147 45.111 45.100 -0.227 0.000 0.840 496 G HN 0.610 nan 8.290 nan 0.000 0.505 497 G N -1.850 106.570 108.800 -0.634 0.000 2.528 497 G HA2 0.659 4.619 3.960 0.001 0.000 0.289 497 G HA3 0.659 4.619 3.960 0.001 0.000 0.289 497 G C -0.327 174.476 174.900 -0.160 0.000 1.192 497 G CA -0.133 44.547 45.100 -0.699 0.000 0.921 497 G HN 0.880 nan 8.290 nan 0.000 0.512 498 V N 0.736 120.751 119.914 0.169 0.000 2.495 498 V HA 0.414 4.535 4.120 0.001 0.000 0.298 498 V C -0.376 175.947 176.094 0.381 0.000 1.031 498 V CA -0.683 61.762 62.300 0.241 0.000 0.871 498 V CB 1.384 33.351 31.823 0.240 0.000 0.988 498 V HN 0.660 nan 8.190 nan 0.000 0.432 499 L N 4.874 126.250 121.223 0.255 0.000 2.309 499 L HA 0.949 5.290 4.340 0.001 0.000 0.282 499 L C -0.028 176.911 176.870 0.116 0.000 1.036 499 L CA 0.036 55.021 54.840 0.241 0.000 0.806 499 L CB 1.361 43.480 42.059 0.101 0.000 1.220 499 L HN 0.792 nan 8.230 nan 0.000 0.429 500 A N 4.349 127.271 122.820 0.169 0.000 2.486 500 A HA 0.801 5.122 4.320 0.001 0.000 0.300 500 A C -1.737 175.977 177.584 0.218 0.000 1.048 500 A CA -0.539 51.562 52.037 0.106 0.000 0.696 500 A CB 1.846 20.871 19.000 0.043 0.000 1.278 500 A HN 0.529 nan 8.150 nan 0.000 0.405 501 V N 1.449 121.514 119.914 0.251 0.000 2.482 501 V HA 0.674 4.794 4.120 0.001 0.000 0.295 501 V C 0.275 176.578 176.094 0.348 0.000 1.026 501 V CA -0.299 62.246 62.300 0.408 0.000 0.856 501 V CB 1.457 33.600 31.823 0.534 0.000 1.001 501 V HN 1.367 nan 8.190 nan 0.000 0.424 502 A N 3.474 126.517 122.820 0.372 0.000 2.260 502 A HA 0.576 4.896 4.320 0.001 0.000 0.314 502 A C 0.157 177.948 177.584 0.345 0.000 1.257 502 A CA -0.522 51.724 52.037 0.347 0.000 0.871 502 A CB -0.044 19.200 19.000 0.408 0.000 1.166 502 A HN 0.891 nan 8.150 nan 0.000 0.522 503 N N 2.496 121.357 118.700 0.268 0.000 3.303 503 N HA 0.249 4.990 4.740 0.001 0.000 0.304 503 N C 0.318 176.101 175.510 0.454 0.000 1.302 503 N CA -0.185 53.046 53.050 0.301 0.000 1.213 503 N CB -0.123 38.458 38.487 0.156 0.000 1.481 503 N HN 0.793 nan 8.380 nan 0.000 0.546 504 I N -2.409 118.367 120.570 0.343 0.000 2.938 504 I HA 0.144 4.315 4.170 0.001 0.000 0.285 504 I C 0.638 176.764 176.117 0.014 0.000 1.182 504 I CA -0.738 60.679 61.300 0.195 0.000 1.388 504 I CB 0.746 38.815 38.000 0.115 0.000 1.390 504 I HN 0.118 nan 8.210 nan 0.000 0.600 505 R N 2.116 122.343 120.500 -0.456 0.000 2.811 505 R HA 0.265 4.605 4.340 0.001 0.000 0.265 505 R C 1.159 177.174 176.300 -0.474 0.000 1.026 505 R CA 1.158 56.696 56.100 -0.938 0.000 1.142 505 R CB 0.150 29.866 30.300 -0.973 0.000 1.027 505 R HN 1.089 nan 8.270 nan 0.000 0.465 506 G N 0.099 108.669 108.800 -0.385 0.000 2.279 506 G HA2 -0.229 3.732 3.960 0.001 0.000 0.223 506 G HA3 -0.229 3.732 3.960 0.001 0.000 0.223 506 G C 0.508 175.461 174.900 0.088 0.000 1.015 506 G CA -0.232 44.772 45.100 -0.159 0.000 0.621 506 G HN 0.895 nan 8.290 nan 0.000 0.506 507 G N -0.366 108.539 108.800 0.175 0.000 2.588 507 G HA2 0.554 4.514 3.960 0.001 0.000 0.278 507 G HA3 0.554 4.514 3.960 0.001 0.000 0.278 507 G C 1.042 176.172 174.900 0.382 0.000 1.307 507 G CA 0.266 45.554 45.100 0.314 0.000 1.016 507 G HN 1.334 nan 8.290 nan 0.000 0.503 508 G N -1.495 107.448 108.800 0.239 0.000 3.393 508 G HA2 0.275 4.235 3.960 0.001 0.000 0.255 508 G HA3 0.275 4.235 3.960 0.001 0.000 0.255 508 G C 0.959 175.881 174.900 0.038 0.000 1.097 508 G CA 0.150 45.350 45.100 0.166 0.000 0.780 508 G HN 0.522 nan 8.290 nan 0.000 0.540 509 E N 0.226 120.379 120.200 -0.077 0.000 2.097 509 E HA -0.143 4.208 4.350 0.001 0.000 0.196 509 E C 0.253 176.316 176.600 -0.895 0.000 1.000 509 E CA 1.163 57.240 56.400 -0.537 0.000 0.804 509 E CB -0.172 29.107 29.700 -0.703 0.000 0.740 509 E HN 0.571 nan 8.360 nan 0.000 0.454 510 Y N -0.233 119.792 120.300 -0.457 0.000 2.722 510 Y HA 0.434 4.984 4.550 0.001 0.000 0.314 510 Y C 0.851 176.792 175.900 0.067 0.000 1.008 510 Y CA -0.074 57.866 58.100 -0.266 0.000 1.294 510 Y CB 0.626 38.761 38.460 -0.541 0.000 1.231 510 Y HN 0.125 nan 8.280 nan 0.000 0.558 511 G N 0.622 109.537 108.800 0.190 0.000 2.698 511 G HA2 -0.388 3.573 3.960 0.001 0.000 0.233 511 G HA3 -0.388 3.573 3.960 0.001 0.000 0.233 511 G C 0.773 175.856 174.900 0.306 0.000 1.352 511 G CA 0.311 45.576 45.100 0.275 0.000 0.879 511 G HN 0.354 nan 8.290 nan 0.000 0.567 512 E N -0.398 119.943 120.200 0.235 0.000 2.204 512 E HA -0.088 4.263 4.350 0.001 0.000 0.195 512 E C 2.758 179.465 176.600 0.177 0.000 0.990 512 E CA 2.776 59.298 56.400 0.202 0.000 0.821 512 E CB -0.496 29.244 29.700 0.066 0.000 0.750 512 E HN 0.948 nan 8.360 nan 0.000 0.477 513 T N -2.527 112.133 114.554 0.178 0.000 2.821 513 T HA -0.161 4.190 4.350 0.001 0.000 0.267 513 T C 1.833 176.662 174.700 0.215 0.000 1.046 513 T CA 0.945 63.133 62.100 0.147 0.000 1.139 513 T CB -0.850 68.106 68.868 0.146 0.000 0.871 513 T HN 0.412 nan 8.240 nan 0.000 0.454 514 W N 1.682 123.037 121.300 0.092 0.000 2.381 514 W HA -0.143 4.517 4.660 0.001 0.000 0.301 514 W C 2.357 178.921 176.519 0.075 0.000 1.205 514 W CA 1.374 58.779 57.345 0.100 0.000 1.285 514 W CB -0.442 29.125 29.460 0.178 0.000 1.133 514 W HN 0.507 nan 8.180 nan 0.000 0.521 515 H N 0.685 119.847 119.070 0.153 0.000 2.293 515 H HA -0.177 4.380 4.556 0.001 0.000 0.300 515 H C 2.145 177.388 175.328 -0.142 0.000 1.082 515 H CA 1.921 57.961 56.048 -0.013 0.000 1.308 515 H CB -0.141 29.634 29.762 0.023 0.000 1.375 515 H HN 0.031 nan 8.280 nan 0.000 0.495 516 K N -0.119 120.140 120.400 -0.236 0.000 2.281 516 K HA -0.082 4.239 4.320 0.001 0.000 0.203 516 K C 2.135 178.546 176.600 -0.315 0.000 1.046 516 K CA 0.770 56.851 56.287 -0.344 0.000 0.938 516 K CB -0.087 32.287 32.500 -0.211 0.000 0.737 516 K HN 0.389 nan 8.250 nan 0.000 0.458 517 G N 0.283 108.916 108.800 -0.279 0.000 2.776 517 G HA2 -0.077 3.884 3.960 0.001 0.000 0.209 517 G HA3 -0.077 3.884 3.960 0.001 0.000 0.209 517 G C 0.793 175.440 174.900 -0.421 0.000 1.145 517 G CA 0.551 45.446 45.100 -0.341 0.000 0.791 517 G HN 0.371 nan 8.290 nan 0.000 0.530 518 G N 0.191 108.734 108.800 -0.428 0.000 4.552 518 G HA2 0.500 4.461 3.960 0.001 0.000 0.281 518 G HA3 0.500 4.461 3.960 0.001 0.000 0.281 518 G C -0.045 174.573 174.900 -0.470 0.000 1.037 518 G CA -0.256 44.567 45.100 -0.462 0.000 0.806 518 G HN 0.498 nan 8.290 nan 0.000 0.495 519 I N -3.411 116.874 120.570 -0.474 0.000 3.074 519 I HA 0.739 4.910 4.170 0.001 0.000 0.310 519 I C 0.788 176.623 176.117 -0.471 0.000 1.153 519 I CA -1.289 59.730 61.300 -0.469 0.000 0.993 519 I CB 1.530 39.201 38.000 -0.548 0.000 1.237 519 I HN 0.078 nan 8.210 nan 0.000 0.443 520 L N 0.769 121.749 121.223 -0.406 0.000 6.223 520 L HA -0.391 3.949 4.340 0.001 0.000 0.053 520 L C 1.951 178.085 176.870 -1.226 0.000 2.244 520 L CA 1.301 55.756 54.840 -0.643 0.000 1.647 520 L CB -1.832 39.881 42.059 -0.576 0.000 2.769 520 L HN 0.970 nan 8.230 nan 0.000 1.016 521 A N -0.411 121.261 122.820 -1.914 0.000 2.076 521 A HA -0.114 4.206 4.320 0.001 0.000 0.220 521 A C 1.454 178.549 177.584 -0.815 0.000 1.160 521 A CA 2.190 53.137 52.037 -1.818 0.000 0.653 521 A CB -0.607 17.716 19.000 -1.129 0.000 0.801 521 A HN 0.681 nan 8.150 nan 0.000 0.455 522 N N -0.772 117.556 118.700 -0.620 0.000 2.268 522 N HA 0.012 4.752 4.740 0.001 0.000 0.204 522 N C 1.170 176.409 175.510 -0.452 0.000 1.124 522 N CA 0.403 53.190 53.050 -0.438 0.000 0.838 522 N CB 0.384 38.643 38.487 -0.380 0.000 0.994 522 N HN 0.372 nan 8.380 nan 0.000 0.489 523 K N 1.652 121.759 120.400 -0.488 0.000 2.160 523 K HA -0.182 4.139 4.320 0.001 0.000 0.206 523 K C 1.851 177.988 176.600 -0.773 0.000 1.047 523 K CA 1.217 57.137 56.287 -0.612 0.000 0.930 523 K CB -0.129 32.028 32.500 -0.572 0.000 0.720 523 K HN -0.008 nan 8.250 nan 0.000 0.450 524 Q N 0.604 120.135 119.800 -0.449 0.000 2.297 524 Q HA -0.108 4.233 4.340 0.001 0.000 0.208 524 Q C 1.279 177.113 176.000 -0.277 0.000 0.981 524 Q CA 1.586 57.260 55.803 -0.215 0.000 0.876 524 Q CB -0.365 28.371 28.738 -0.004 0.000 0.921 524 Q HN 0.367 nan 8.270 nan 0.000 0.446 525 N N -0.881 117.611 118.700 -0.347 0.000 2.149 525 N HA -0.142 4.598 4.740 0.001 0.000 0.188 525 N C 1.496 176.804 175.510 -0.336 0.000 1.019 525 N CA 1.453 54.325 53.050 -0.296 0.000 0.857 525 N CB -0.648 37.639 38.487 -0.334 0.000 0.997 525 N HN 0.369 nan 8.380 nan 0.000 0.426 526 C N 0.142 119.109 119.300 -0.555 0.000 2.432 526 C HA -0.056 4.405 4.460 0.001 0.000 0.277 526 C C 2.405 177.186 174.990 -0.348 0.000 1.249 526 C CA 0.160 58.846 59.018 -0.553 0.000 1.725 526 C CB -1.519 25.716 27.740 -0.843 0.000 2.028 526 C HN 0.282 nan 8.230 nan 0.000 0.477 527 F N 1.660 121.528 119.950 -0.136 0.000 2.146 527 F HA -0.066 4.461 4.527 0.001 0.000 0.298 527 F C 2.176 178.007 175.800 0.052 0.000 1.096 527 F CA 1.239 59.212 58.000 -0.044 0.000 1.275 527 F CB -1.252 37.692 39.000 -0.093 0.000 1.008 527 F HN 0.210 nan 8.300 nan 0.000 0.480 528 D N 0.340 120.826 120.400 0.142 0.000 2.097 528 D HA -0.151 4.490 4.640 0.001 0.000 0.195 528 D C 1.837 178.223 176.300 0.145 0.000 0.989 528 D CA 1.466 55.536 54.000 0.118 0.000 0.827 528 D CB -0.535 40.292 40.800 0.046 0.000 0.966 528 D HN 0.167 nan 8.370 nan 0.000 0.456 529 D N -0.173 120.295 120.400 0.113 0.000 2.104 529 D HA -0.161 4.480 4.640 0.001 0.000 0.194 529 D C 1.836 178.343 176.300 0.345 0.000 0.994 529 D CA 0.553 54.677 54.000 0.207 0.000 0.830 529 D CB -0.475 40.382 40.800 0.096 0.000 0.959 529 D HN 0.145 nan 8.370 nan 0.000 0.452 530 F N 1.330 121.350 119.950 0.117 0.000 2.146 530 F HA -0.114 4.413 4.527 0.001 0.000 0.298 530 F C 2.424 178.305 175.800 0.135 0.000 1.096 530 F CA 1.260 59.329 58.000 0.116 0.000 1.275 530 F CB -0.218 38.824 39.000 0.071 0.000 1.008 530 F HN -0.064 nan 8.300 nan 0.000 0.480 531 Q N -1.253 118.692 119.800 0.242 0.000 2.124 531 Q HA -0.219 4.121 4.340 0.001 0.000 0.202 531 Q C 2.413 178.421 176.000 0.013 0.000 0.977 531 Q CA 1.840 57.733 55.803 0.150 0.000 0.850 531 Q CB -0.546 28.299 28.738 0.178 0.000 0.901 531 Q HN 0.415 nan 8.270 nan 0.000 0.429 532 C N 0.052 119.384 119.300 0.055 0.000 2.435 532 C HA -0.049 4.411 4.460 0.001 0.000 0.279 532 C C 2.782 177.588 174.990 -0.306 0.000 1.321 532 C CA 0.556 59.582 59.018 0.012 0.000 1.752 532 C CB -1.104 26.771 27.740 0.226 0.000 1.959 532 C HN 0.608 nan 8.230 nan 0.000 0.500 533 A N 0.739 123.269 122.820 -0.483 0.000 1.877 533 A HA 0.064 4.385 4.320 0.001 0.000 0.216 533 A C 2.386 179.728 177.584 -0.404 0.000 1.186 533 A CA 2.020 53.566 52.037 -0.817 0.000 0.620 533 A CB -0.921 17.780 19.000 -0.498 0.000 0.822 533 A HN 0.543 nan 8.150 nan 0.000 0.443 534 A N -0.036 122.605 122.820 -0.299 0.000 1.883 534 A HA -0.206 4.114 4.320 0.001 0.000 0.217 534 A C 1.905 179.413 177.584 -0.126 0.000 1.186 534 A CA 1.731 53.664 52.037 -0.173 0.000 0.624 534 A CB -0.639 18.300 19.000 -0.102 0.000 0.822 534 A HN 0.639 nan 8.150 nan 0.000 0.444 535 E N -1.805 118.319 120.200 -0.126 0.000 2.153 535 E HA -0.221 4.130 4.350 0.001 0.000 0.194 535 E C 1.835 178.409 176.600 -0.042 0.000 0.988 535 E CA 1.448 57.798 56.400 -0.083 0.000 0.811 535 E CB -0.307 29.359 29.700 -0.056 0.000 0.746 535 E HN 0.821 nan 8.360 nan 0.000 0.466 536 Y N 1.378 121.566 120.300 -0.186 0.000 2.163 536 Y HA -0.177 4.373 4.550 0.001 0.000 0.288 536 Y C 1.944 177.825 175.900 -0.031 0.000 1.136 536 Y CA 1.343 59.366 58.100 -0.128 0.000 1.147 536 Y CB -0.155 38.145 38.460 -0.267 0.000 0.987 536 Y HN -0.077 nan 8.280 nan 0.000 0.509 537 L N -0.345 120.943 121.223 0.108 0.000 2.079 537 L HA -0.239 4.101 4.340 0.001 0.000 0.210 537 L C 2.341 179.264 176.870 0.089 0.000 1.081 537 L CA 1.454 56.376 54.840 0.136 0.000 0.752 537 L CB -0.529 41.577 42.059 0.078 0.000 0.896 537 L HN 0.308 nan 8.230 nan 0.000 0.433 538 I N -0.612 119.958 120.570 -0.000 0.000 2.193 538 I HA -0.240 3.930 4.170 0.001 0.000 0.240 538 I C 2.744 178.824 176.117 -0.062 0.000 1.084 538 I CA 1.026 62.312 61.300 -0.025 0.000 1.365 538 I CB -0.329 37.638 38.000 -0.055 0.000 1.064 538 I HN 0.181 nan 8.210 nan 0.000 0.410 539 K N 0.987 121.328 120.400 -0.099 0.000 2.057 539 K HA -0.187 4.133 4.320 0.001 0.000 0.207 539 K C 1.605 178.106 176.600 -0.166 0.000 1.049 539 K CA 1.481 57.695 56.287 -0.122 0.000 0.931 539 K CB -0.011 32.419 32.500 -0.117 0.000 0.714 539 K HN 0.235 nan 8.250 nan 0.000 0.440 540 E N -0.547 119.505 120.200 -0.247 0.000 2.511 540 E HA -0.003 4.347 4.350 0.001 0.000 0.196 540 E C 0.931 177.387 176.600 -0.241 0.000 1.066 540 E CA 0.731 56.970 56.400 -0.269 0.000 0.871 540 E CB 0.114 29.574 29.700 -0.399 0.000 0.863 540 E HN 0.589 nan 8.360 nan 0.000 0.520 541 G N 0.796 109.508 108.800 -0.147 0.000 2.143 541 G HA2 -0.341 3.620 3.960 0.001 0.000 0.249 541 G HA3 -0.341 3.620 3.960 0.001 0.000 0.249 541 G C 0.667 175.498 174.900 -0.114 0.000 0.981 541 G CA 0.433 45.447 45.100 -0.142 0.000 0.665 541 G HN 0.332 nan 8.290 nan 0.000 0.528 542 Y N 0.026 120.323 120.300 -0.006 0.000 2.395 542 Y HA 0.372 4.922 4.550 0.001 0.000 0.293 542 Y C 2.009 177.984 175.900 0.125 0.000 1.123 542 Y CA 1.919 60.057 58.100 0.063 0.000 1.227 542 Y CB 0.393 38.880 38.460 0.045 0.000 1.012 542 Y HN 0.424 nan 8.280 nan 0.000 0.552 543 T N -2.379 112.298 114.554 0.206 0.000 2.653 543 T HA 0.567 4.917 4.350 0.001 0.000 0.306 543 T C -1.284 173.451 174.700 0.058 0.000 1.426 543 T CA -0.673 61.512 62.100 0.142 0.000 1.008 543 T CB 0.992 69.970 68.868 0.183 0.000 1.692 543 T HN -0.147 nan 8.240 nan 0.000 0.483 544 S N 0.794 116.521 115.700 0.045 0.000 2.595 544 S HA 0.540 5.011 4.470 0.001 0.000 0.281 544 S C -2.136 172.470 174.600 0.011 0.000 1.117 544 S CA -1.012 57.192 58.200 0.007 0.000 0.873 544 S CB 1.985 65.181 63.200 -0.006 0.000 1.108 544 S HN 0.538 nan 8.310 nan 0.000 0.477 545 P HA -0.195 nan 4.420 nan 0.000 0.215 545 P C 1.193 178.499 177.300 0.010 0.000 1.157 545 P CA 1.464 64.536 63.100 -0.047 0.000 0.874 545 P CB 0.004 31.650 31.700 -0.089 0.000 0.790 546 K N -0.242 120.168 120.400 0.018 0.000 2.442 546 K HA -0.063 4.257 4.320 0.001 0.000 0.198 546 K C 1.555 178.199 176.600 0.073 0.000 1.042 546 K CA 1.145 57.457 56.287 0.042 0.000 0.958 546 K CB -0.256 32.261 32.500 0.028 0.000 0.766 546 K HN 0.113 nan 8.250 nan 0.000 0.474 547 R N 0.321 120.873 120.500 0.086 0.000 2.397 547 R HA 0.209 4.549 4.340 0.001 0.000 0.241 547 R C -0.284 176.126 176.300 0.184 0.000 0.914 547 R CA -0.439 55.740 56.100 0.131 0.000 1.071 547 R CB 0.267 30.637 30.300 0.117 0.000 1.116 547 R HN 0.073 nan 8.270 nan 0.000 0.524 548 L N 1.295 122.615 121.223 0.160 0.000 2.292 548 L HA 0.304 4.644 4.340 0.001 0.000 0.284 548 L C -0.653 176.336 176.870 0.198 0.000 1.065 548 L CA 0.485 55.438 54.840 0.189 0.000 0.806 548 L CB 1.723 43.879 42.059 0.161 0.000 1.175 548 L HN -0.138 nan 8.230 nan 0.000 0.431 549 T N 6.540 121.187 114.554 0.155 0.000 2.829 549 T HA 0.640 4.991 4.350 0.001 0.000 0.280 549 T C -0.380 174.240 174.700 -0.133 0.000 0.999 549 T CA -0.284 61.845 62.100 0.048 0.000 0.983 549 T CB 1.052 69.952 68.868 0.053 0.000 0.968 549 T HN 0.580 nan 8.240 nan 0.000 0.446 550 I N 1.081 121.536 120.570 -0.191 0.000 2.530 550 I HA 0.709 4.879 4.170 0.001 0.000 0.297 550 I C -0.540 175.393 176.117 -0.307 0.000 1.011 550 I CA -0.780 60.371 61.300 -0.249 0.000 1.107 550 I CB 2.017 39.884 38.000 -0.222 0.000 1.285 550 I HN 0.485 nan 8.210 nan 0.000 0.436 551 N N 3.178 121.684 118.700 -0.324 0.000 2.277 551 N HA 0.780 5.521 4.740 0.001 0.000 0.286 551 N C -1.246 174.171 175.510 -0.156 0.000 1.140 551 N CA -0.414 52.506 53.050 -0.218 0.000 0.799 551 N CB 2.840 41.162 38.487 -0.274 0.000 1.596 551 N HN 1.098 nan 8.380 nan 0.000 0.473 552 G N -0.140 108.587 108.800 -0.122 0.000 2.632 552 G HA2 0.560 4.520 3.960 0.001 0.000 0.292 552 G HA3 0.560 4.520 3.960 0.001 0.000 0.292 552 G C -1.517 173.357 174.900 -0.044 0.000 1.465 552 G CA -0.579 44.382 45.100 -0.232 0.000 0.824 552 G HN 0.598 nan 8.290 nan 0.000 0.509 553 G N -0.712 108.114 108.800 0.043 0.000 2.495 553 G HA2 0.684 4.645 3.960 0.001 0.000 0.318 553 G HA3 0.684 4.645 3.960 0.001 0.000 0.318 553 G C 0.418 175.365 174.900 0.079 0.000 1.257 553 G CA 0.980 46.111 45.100 0.051 0.000 0.962 553 G HN 1.982 nan 8.290 nan 0.000 0.483 554 S N 1.261 116.971 115.700 0.016 0.000 4.150 554 S HA -0.401 4.069 4.470 0.001 0.000 0.575 554 S C 2.033 176.552 174.600 -0.136 0.000 1.878 554 S CA 2.213 60.422 58.200 0.014 0.000 4.245 554 S CB -1.496 61.802 63.200 0.163 0.000 0.231 554 S HN 1.328 nan 8.310 nan 0.000 0.469 555 N N 1.345 119.913 118.700 -0.220 0.000 2.289 555 N HA 0.036 4.777 4.740 0.001 0.000 0.184 555 N C 1.597 176.807 175.510 -0.499 0.000 1.016 555 N CA 2.339 55.134 53.050 -0.425 0.000 0.872 555 N CB -0.923 37.128 38.487 -0.727 0.000 0.973 555 N HN 0.622 nan 8.380 nan 0.000 0.433 556 G N -1.129 107.449 108.800 -0.369 0.000 2.511 556 G HA2 -0.036 3.924 3.960 0.001 0.000 0.217 556 G HA3 -0.036 3.924 3.960 0.001 0.000 0.217 556 G C 1.403 176.150 174.900 -0.254 0.000 1.133 556 G CA 0.484 45.399 45.100 -0.308 0.000 0.792 556 G HN 0.419 nan 8.290 nan 0.000 0.539 557 G N 1.079 109.777 108.800 -0.170 0.000 2.394 557 G HA2 -0.090 3.870 3.960 0.001 0.000 0.215 557 G HA3 -0.090 3.870 3.960 0.001 0.000 0.215 557 G C 1.709 176.501 174.900 -0.180 0.000 1.165 557 G CA 0.978 45.992 45.100 -0.143 0.000 0.784 557 G HN 0.414 nan 8.290 nan 0.000 0.535 558 L N 0.389 121.491 121.223 -0.201 0.000 2.046 558 L HA 0.042 4.383 4.340 0.001 0.000 0.208 558 L C 2.489 179.275 176.870 -0.140 0.000 1.077 558 L CA 1.724 56.448 54.840 -0.193 0.000 0.747 558 L CB -0.665 41.292 42.059 -0.171 0.000 0.896 558 L HN 0.180 nan 8.230 nan 0.000 0.432 559 L N -0.326 120.806 121.223 -0.151 0.000 1.970 559 L HA -0.170 4.170 4.340 0.001 0.000 0.212 559 L C 2.583 179.335 176.870 -0.198 0.000 1.071 559 L CA 2.490 57.255 54.840 -0.126 0.000 0.751 559 L CB -0.912 40.886 42.059 -0.435 0.000 0.889 559 L HN 0.348 nan 8.230 nan 0.000 0.432 560 V N -2.464 117.290 119.914 -0.268 0.000 2.548 560 V HA -0.047 4.073 4.120 0.001 0.000 0.249 560 V C 2.464 178.459 176.094 -0.165 0.000 1.055 560 V CA 1.339 63.501 62.300 -0.229 0.000 1.065 560 V CB -1.760 29.929 31.823 -0.224 0.000 0.681 560 V HN 0.473 nan 8.190 nan 0.000 0.462 561 A N 0.839 123.581 122.820 -0.131 0.000 1.898 561 A HA -0.126 4.194 4.320 0.001 0.000 0.216 561 A C 2.355 179.886 177.584 -0.089 0.000 1.181 561 A CA 2.508 54.518 52.037 -0.045 0.000 0.620 561 A CB -1.302 17.566 19.000 -0.220 0.000 0.819 561 A HN 0.538 nan 8.150 nan 0.000 0.442 562 T N -0.770 113.636 114.554 -0.248 0.000 2.746 562 T HA -0.175 4.175 4.350 0.001 0.000 0.267 562 T C 1.879 176.432 174.700 -0.245 0.000 1.039 562 T CA 1.585 63.458 62.100 -0.380 0.000 1.142 562 T CB -0.635 67.647 68.868 -0.977 0.000 0.866 562 T HN 0.564 nan 8.240 nan 0.000 0.444 563 C N 1.581 120.788 119.300 -0.156 0.000 2.422 563 C HA 0.108 4.568 4.460 0.001 0.000 0.279 563 C C 3.167 178.216 174.990 0.099 0.000 1.305 563 C CA 0.247 59.281 59.018 0.026 0.000 1.757 563 C CB -1.427 26.355 27.740 0.070 0.000 1.962 563 C HN 0.651 nan 8.230 nan 0.000 0.499 564 A N 1.278 124.081 122.820 -0.028 0.000 1.898 564 A HA -0.159 4.162 4.320 0.001 0.000 0.216 564 A C 1.953 179.431 177.584 -0.178 0.000 1.181 564 A CA 1.815 53.835 52.037 -0.029 0.000 0.620 564 A CB -0.534 18.473 19.000 0.012 0.000 0.819 564 A HN 0.618 nan 8.150 nan 0.000 0.442 565 N N -0.084 118.586 118.700 -0.050 0.000 2.142 565 N HA -0.136 4.604 4.740 0.001 0.000 0.186 565 N C 1.943 177.432 175.510 -0.036 0.000 1.023 565 N CA 1.641 54.689 53.050 -0.005 0.000 0.852 565 N CB -0.435 38.116 38.487 0.107 0.000 0.998 565 N HN 0.670 nan 8.380 nan 0.000 0.424 566 Q N -0.351 119.435 119.800 -0.023 0.000 2.137 566 Q HA 0.097 4.437 4.340 0.001 0.000 0.198 566 Q C 0.101 176.108 176.000 0.012 0.000 0.960 566 Q CA 0.846 56.650 55.803 0.002 0.000 0.847 566 Q CB 0.397 29.135 28.738 0.001 0.000 0.915 566 Q HN 0.062 nan 8.270 nan 0.000 0.448 567 R N 0.350 120.877 120.500 0.045 0.000 2.653 567 R HA 0.183 4.524 4.340 0.001 0.000 0.269 567 R C -2.208 174.079 176.300 -0.023 0.000 1.603 567 R CA -1.512 54.588 56.100 -0.000 0.000 1.671 567 R CB 0.750 31.041 30.300 -0.014 0.000 1.300 567 R HN 0.128 nan 8.270 nan 0.000 0.668 568 P HA -0.164 nan 4.420 nan 0.000 0.220 568 P C 0.623 177.867 177.300 -0.093 0.000 1.148 568 P CA 1.141 64.155 63.100 -0.143 0.000 0.803 568 P CB 0.301 31.772 31.700 -0.381 0.000 0.782 569 D N -0.493 119.831 120.400 -0.127 0.000 2.312 569 D HA -0.114 4.526 4.640 0.001 0.000 0.211 569 D C 1.754 177.916 176.300 -0.231 0.000 0.964 569 D CA 0.431 54.353 54.000 -0.130 0.000 0.877 569 D CB -0.648 40.090 40.800 -0.104 0.000 0.924 569 D HN 0.126 nan 8.370 nan 0.000 0.515 570 L N -0.728 120.221 121.223 -0.458 0.000 2.446 570 L HA 0.249 4.590 4.340 0.001 0.000 0.219 570 L C -0.243 176.084 176.870 -0.904 0.000 1.116 570 L CA 0.504 54.870 54.840 -0.790 0.000 0.844 570 L CB -0.096 41.255 42.059 -1.181 0.000 0.970 570 L HN -0.164 nan 8.230 nan 0.000 0.457 571 F N -2.538 117.395 119.950 -0.028 0.000 2.577 571 F HA 0.589 5.116 4.527 0.001 0.000 0.318 571 F C 1.280 177.086 175.800 0.011 0.000 1.065 571 F CA -0.579 57.415 58.000 -0.009 0.000 0.929 571 F CB 1.101 40.097 39.000 -0.007 0.000 1.237 571 F HN -0.288 nan 8.300 nan 0.000 0.468 572 G N -0.670 108.259 108.800 0.215 0.000 2.608 572 G HA2 0.162 4.123 3.960 0.001 0.000 0.210 572 G HA3 0.162 4.123 3.960 0.001 0.000 0.210 572 G C -0.478 174.515 174.900 0.154 0.000 1.139 572 G CA 0.337 45.525 45.100 0.146 0.000 0.812 572 G HN 0.652 nan 8.290 nan 0.000 0.529 573 C N -0.153 119.254 119.300 0.178 0.000 2.985 573 C HA 0.726 5.186 4.460 0.001 0.000 0.314 573 C C -1.413 173.656 174.990 0.132 0.000 1.215 573 C CA -0.606 58.514 59.018 0.170 0.000 1.414 573 C CB 1.225 29.055 27.740 0.150 0.000 1.842 573 C HN 0.098 nan 8.230 nan 0.000 0.477 574 V N 6.037 126.041 119.914 0.149 0.000 2.623 574 V HA 0.518 4.639 4.120 0.001 0.000 0.304 574 V C -0.576 175.545 176.094 0.045 0.000 1.054 574 V CA -0.238 62.078 62.300 0.026 0.000 0.882 574 V CB 1.720 33.538 31.823 -0.008 0.000 1.002 574 V HN 0.738 nan 8.190 nan 0.000 0.424 575 I N 4.233 124.786 120.570 -0.029 0.000 2.382 575 I HA 0.680 4.850 4.170 0.001 0.000 0.285 575 I C 0.287 176.370 176.117 -0.057 0.000 1.007 575 I CA -0.485 60.785 61.300 -0.051 0.000 1.142 575 I CB 1.721 39.692 38.000 -0.049 0.000 1.289 575 I HN 0.681 nan 8.210 nan 0.000 0.453 576 A N 6.705 129.499 122.820 -0.042 0.000 2.258 576 A HA 0.589 4.910 4.320 0.001 0.000 0.316 576 A C -0.439 177.131 177.584 -0.023 0.000 1.279 576 A CA -0.469 51.548 52.037 -0.032 0.000 0.876 576 A CB 0.549 19.552 19.000 0.004 0.000 1.170 576 A HN 0.712 nan 8.150 nan 0.000 0.520 577 Q N 1.338 121.125 119.800 -0.022 0.000 2.271 577 Q HA 0.438 4.778 4.340 0.001 0.000 0.258 577 Q C 0.501 176.487 176.000 -0.024 0.000 0.936 577 Q CA -0.396 55.395 55.803 -0.019 0.000 0.909 577 Q CB 2.102 30.833 28.738 -0.011 0.000 1.253 577 Q HN 1.491 nan 8.270 nan 0.000 0.440 578 V N -0.096 119.813 119.914 -0.007 0.000 5.404 578 V HA -0.243 3.878 4.120 0.001 0.000 0.249 578 V C 0.235 176.350 176.094 0.035 0.000 0.682 578 V CA 0.916 63.238 62.300 0.036 0.000 0.608 578 V CB -2.304 29.528 31.823 0.014 0.000 0.311 578 V HN 0.821 nan 8.190 nan 0.000 0.680 579 G N -0.009 108.785 108.800 -0.009 0.000 2.448 579 G HA2 0.573 4.533 3.960 0.001 0.000 0.285 579 G HA3 0.573 4.533 3.960 0.001 0.000 0.285 579 G C -0.302 174.502 174.900 -0.159 0.000 1.176 579 G CA -0.320 44.728 45.100 -0.085 0.000 0.852 579 G HN 1.169 nan 8.290 nan 0.000 0.530 580 V N 3.467 123.215 119.914 -0.277 0.000 2.387 580 V HA 0.094 4.214 4.120 0.001 0.000 0.260 580 V C 0.638 176.558 176.094 -0.291 0.000 1.054 580 V CA -0.226 61.796 62.300 -0.462 0.000 0.967 580 V CB 1.063 32.641 31.823 -0.409 0.000 1.036 580 V HN 0.698 nan 8.190 nan 0.000 0.481 581 M N 1.266 120.805 119.600 -0.102 0.000 2.571 581 M HA 0.256 4.737 4.480 0.001 0.000 0.259 581 M C 0.669 176.973 176.300 0.007 0.000 1.205 581 M CA 0.414 55.609 55.300 -0.174 0.000 1.138 581 M CB -0.215 32.190 32.600 -0.324 0.000 1.329 581 M HN 0.542 nan 8.290 nan 0.000 0.503 582 D N 1.694 122.322 120.400 0.381 0.000 2.479 582 D HA 0.194 4.835 4.640 0.001 0.000 0.218 582 D C 0.783 177.339 176.300 0.428 0.000 1.131 582 D CA -0.018 54.174 54.000 0.319 0.000 0.916 582 D CB 0.761 41.695 40.800 0.224 0.000 1.022 582 D HN -0.050 nan 8.370 nan 0.000 0.515 583 M N 2.727 122.483 119.600 0.261 0.000 2.557 583 M HA 0.000 4.480 4.480 0.001 0.000 0.259 583 M C 1.543 178.056 176.300 0.356 0.000 1.086 583 M CA 0.537 56.005 55.300 0.279 0.000 1.096 583 M CB -0.225 32.310 32.600 -0.109 0.000 1.424 583 M HN 0.455 nan 8.290 nan 0.000 0.488 584 L N -0.902 120.448 121.223 0.212 0.000 2.375 584 L HA -0.056 4.285 4.340 0.001 0.000 0.215 584 L C 1.579 178.589 176.870 0.233 0.000 1.108 584 L CA 0.699 55.601 54.840 0.103 0.000 0.830 584 L CB -0.155 41.785 42.059 -0.198 0.000 0.959 584 L HN 0.253 nan 8.230 nan 0.000 0.457 585 K N -0.455 120.074 120.400 0.216 0.000 2.438 585 K HA 0.109 4.429 4.320 0.001 0.000 0.206 585 K C 1.555 178.081 176.600 -0.123 0.000 1.081 585 K CA -0.073 56.203 56.287 -0.020 0.000 1.053 585 K CB 0.431 32.985 32.500 0.090 0.000 0.908 585 K HN 0.095 nan 8.250 nan 0.000 0.556 586 F N 2.080 122.203 119.950 0.288 0.000 2.154 586 F HA -0.253 4.274 4.527 0.001 0.000 0.301 586 F C 2.191 178.049 175.800 0.097 0.000 1.087 586 F CA 1.436 59.681 58.000 0.408 0.000 1.274 586 F CB -0.987 38.332 39.000 0.532 0.000 1.009 586 F HN 0.136 nan 8.300 nan 0.000 0.485 587 H N 0.729 119.248 119.070 -0.918 0.000 2.521 587 H HA 0.028 4.584 4.556 0.001 0.000 0.286 587 H C 1.190 176.288 175.328 -0.383 0.000 1.034 587 H CA 1.295 56.985 56.048 -0.597 0.000 1.278 587 H CB -0.735 28.639 29.762 -0.647 0.000 1.386 587 H HN 0.431 nan 8.280 nan 0.000 0.567 588 K N 0.187 119.968 120.400 -1.032 0.000 2.366 588 K HA 0.029 4.350 4.320 0.001 0.000 0.198 588 K C -0.387 175.744 176.600 -0.782 0.000 1.044 588 K CA 0.356 56.061 56.287 -0.970 0.000 0.973 588 K CB 0.198 31.938 32.500 -1.267 0.000 0.767 588 K HN 0.240 nan 8.250 nan 0.000 0.475 589 Y N 0.617 120.845 120.300 -0.119 0.000 2.468 589 Y HA 0.063 4.613 4.550 0.001 0.000 0.342 589 Y C 1.474 177.332 175.900 -0.070 0.000 1.021 589 Y CA -1.125 56.942 58.100 -0.056 0.000 1.079 589 Y CB 1.085 39.539 38.460 -0.010 0.000 1.226 589 Y HN 0.172 nan 8.280 nan 0.000 0.460 590 T N -0.381 114.252 114.554 0.130 0.000 8.188 590 T HA -0.408 3.943 4.350 0.001 0.000 0.253 590 T C 0.905 175.572 174.700 -0.055 0.000 1.618 590 T CA 1.963 64.087 62.100 0.040 0.000 1.500 590 T CB -1.143 67.755 68.868 0.051 0.000 1.763 590 T HN 0.626 nan 8.240 nan 0.000 0.450 591 I N 2.561 123.028 120.570 -0.171 0.000 3.904 591 I HA 0.494 4.665 4.170 0.001 0.000 0.333 591 I C 2.191 177.724 176.117 -0.974 0.000 1.361 591 I CA 0.570 61.587 61.300 -0.472 0.000 1.116 591 I CB -0.602 37.197 38.000 -0.335 0.000 1.028 591 I HN 0.744 nan 8.210 nan 0.000 0.398 592 G N 0.424 108.654 108.800 -0.948 0.000 2.462 592 G HA2 -0.353 3.607 3.960 0.001 0.000 0.220 592 G HA3 -0.353 3.607 3.960 0.001 0.000 0.220 592 G C 1.429 175.887 174.900 -0.738 0.000 1.121 592 G CA 1.369 45.610 45.100 -1.431 0.000 0.758 592 G HN 0.706 nan 8.290 nan 0.000 0.559 593 H N -0.232 118.628 119.070 -0.349 0.000 2.457 593 H HA 0.269 4.825 4.556 0.001 0.000 0.297 593 H C 2.395 177.680 175.328 -0.071 0.000 1.092 593 H CA 1.190 57.164 56.048 -0.123 0.000 1.309 593 H CB -0.587 29.121 29.762 -0.090 0.000 1.382 593 H HN 0.277 nan 8.280 nan 0.000 0.535 594 A N 0.780 123.288 122.820 -0.520 0.000 2.067 594 A HA -0.082 4.238 4.320 0.001 0.000 0.219 594 A C 1.188 178.867 177.584 0.158 0.000 1.158 594 A CA 0.973 52.901 52.037 -0.181 0.000 0.661 594 A CB -0.781 18.026 19.000 -0.321 0.000 0.801 594 A HN 0.620 nan 8.150 nan 0.000 0.452 595 W N 0.607 122.031 121.300 0.207 0.000 3.180 595 W HA 0.061 4.721 4.660 0.001 0.000 0.254 595 W C 2.079 178.750 176.519 0.252 0.000 1.318 595 W CA 0.847 58.347 57.345 0.259 0.000 1.608 595 W CB -1.762 27.838 29.460 0.234 0.000 1.124 595 W HN 0.533 nan 8.180 nan 0.000 0.694 596 T N -2.110 112.767 114.554 0.538 0.000 2.929 596 T HA -0.202 4.148 4.350 0.001 0.000 0.271 596 T C 1.735 176.579 174.700 0.239 0.000 1.085 596 T CA 1.991 64.373 62.100 0.471 0.000 1.125 596 T CB -0.740 68.337 68.868 0.349 0.000 0.874 596 T HN 0.159 nan 8.240 nan 0.000 0.494 597 T N -1.173 113.464 114.554 0.139 0.000 2.962 597 T HA -0.027 4.323 4.350 0.001 0.000 0.270 597 T C 1.419 176.047 174.700 -0.120 0.000 1.088 597 T CA 1.291 63.404 62.100 0.022 0.000 1.127 597 T CB -0.344 68.533 68.868 0.014 0.000 0.883 597 T HN 0.345 nan 8.240 nan 0.000 0.493 598 D N -0.306 119.935 120.400 -0.266 0.000 2.338 598 D HA 0.165 4.806 4.640 0.001 0.000 0.224 598 D C 1.171 177.257 176.300 -0.356 0.000 0.967 598 D CA 0.510 54.151 54.000 -0.598 0.000 0.896 598 D CB 0.108 40.024 40.800 -1.474 0.000 1.028 598 D HN 0.434 nan 8.370 nan 0.000 0.493 599 Y N -0.138 120.143 120.300 -0.032 0.000 2.524 599 Y HA 0.425 4.976 4.550 0.001 0.000 0.270 599 Y C 1.488 177.537 175.900 0.249 0.000 1.094 599 Y CA 0.378 58.532 58.100 0.090 0.000 1.276 599 Y CB 0.146 38.631 38.460 0.042 0.000 1.130 599 Y HN -0.028 nan 8.280 nan 0.000 0.536 600 G N -0.419 108.620 108.800 0.399 0.000 2.610 600 G HA2 -0.125 3.835 3.960 0.001 0.000 0.304 600 G HA3 -0.125 3.835 3.960 0.001 0.000 0.304 600 G C -1.241 173.957 174.900 0.496 0.000 1.309 600 G CA -0.978 44.279 45.100 0.261 0.000 0.906 600 G HN 0.445 nan 8.290 nan 0.000 0.521 601 C N 0.014 119.594 119.300 0.467 0.000 2.608 601 C HA 0.738 5.199 4.460 0.001 0.000 0.325 601 C C 1.963 176.986 174.990 0.054 0.000 1.147 601 C CA 0.750 59.836 59.018 0.113 0.000 1.359 601 C CB 0.779 28.469 27.740 -0.083 0.000 1.912 601 C HN 2.127 nan 8.230 nan 0.000 0.466 602 S N 2.013 117.717 115.700 0.006 0.000 2.465 602 S HA -0.153 4.317 4.470 0.001 0.000 0.241 602 S C 0.940 175.709 174.600 0.281 0.000 1.000 602 S CA 1.819 60.148 58.200 0.216 0.000 0.964 602 S CB -0.268 63.124 63.200 0.320 0.000 0.763 602 S HN 0.873 nan 8.310 nan 0.000 0.512 603 D N 1.742 122.164 120.400 0.036 0.000 2.263 603 D HA 0.021 4.662 4.640 0.001 0.000 0.208 603 D C 0.891 177.247 176.300 0.093 0.000 0.971 603 D CA 0.841 54.877 54.000 0.059 0.000 0.867 603 D CB -0.245 40.507 40.800 -0.081 0.000 0.929 603 D HN 0.511 nan 8.370 nan 0.000 0.492 604 S N 0.119 115.759 115.700 -0.100 0.000 2.499 604 S HA 0.135 4.606 4.470 0.001 0.000 0.279 604 S C 1.033 175.305 174.600 -0.546 0.000 1.219 604 S CA -0.721 57.260 58.200 -0.365 0.000 1.062 604 S CB 1.889 64.647 63.200 -0.737 0.000 0.978 604 S HN -0.016 nan 8.310 nan 0.000 0.489 605 K N 3.374 123.255 120.400 -0.866 0.000 2.063 605 K HA -0.181 4.140 4.320 0.001 0.000 0.208 605 K C 2.053 178.387 176.600 -0.442 0.000 1.048 605 K CA 1.678 57.383 56.287 -0.969 0.000 0.928 605 K CB -0.256 31.843 32.500 -0.667 0.000 0.713 605 K HN 0.838 nan 8.250 nan 0.000 0.442 606 Q N -0.161 119.379 119.800 -0.433 0.000 2.050 606 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 606 Q C 1.806 177.328 176.000 -0.796 0.000 0.980 606 Q CA 1.761 57.297 55.803 -0.445 0.000 0.840 606 Q CB -0.108 28.429 28.738 -0.334 0.000 0.898 606 Q HN 0.638 nan 8.270 nan 0.000 0.424 607 H N -1.149 117.373 119.070 -0.913 0.000 2.357 607 H HA -0.137 4.419 4.556 0.001 0.000 0.301 607 H C 1.950 176.983 175.328 -0.491 0.000 1.082 607 H CA 0.906 56.350 56.048 -1.005 0.000 1.342 607 H CB -0.161 29.322 29.762 -0.465 0.000 1.389 607 H HN 0.310 nan 8.280 nan 0.000 0.511 608 F N 2.546 122.337 119.950 -0.264 0.000 2.120 608 F HA -0.222 4.305 4.527 0.001 0.000 0.300 608 F C 2.187 177.865 175.800 -0.203 0.000 1.095 608 F CA 1.250 59.140 58.000 -0.183 0.000 1.249 608 F CB -0.004 38.956 39.000 -0.066 0.000 0.995 608 F HN 0.019 nan 8.300 nan 0.000 0.480 609 E N -0.118 119.969 120.200 -0.188 0.000 2.153 609 E HA -0.217 4.134 4.350 0.001 0.000 0.194 609 E C 2.106 178.659 176.600 -0.077 0.000 0.988 609 E CA 1.330 57.639 56.400 -0.152 0.000 0.811 609 E CB -0.627 29.048 29.700 -0.042 0.000 0.746 609 E HN 0.582 nan 8.360 nan 0.000 0.466 610 W N 0.616 121.871 121.300 -0.075 0.000 2.441 610 W HA 0.082 4.742 4.660 0.001 0.000 0.302 610 W C 2.285 178.730 176.519 -0.123 0.000 1.191 610 W CA 0.037 57.377 57.345 -0.009 0.000 1.327 610 W CB -1.289 28.215 29.460 0.072 0.000 1.128 610 W HN 0.034 nan 8.180 nan 0.000 0.522 611 L N 0.039 121.228 121.223 -0.056 0.000 2.042 611 L HA -0.234 4.107 4.340 0.001 0.000 0.210 611 L C 2.400 178.852 176.870 -0.697 0.000 1.076 611 L CA 1.075 55.609 54.840 -0.510 0.000 0.749 611 L CB -1.071 40.792 42.059 -0.327 0.000 0.893 611 L HN -0.150 nan 8.230 nan 0.000 0.432 612 I N -0.005 120.113 120.570 -0.753 0.000 2.454 612 I HA -0.254 3.917 4.170 0.001 0.000 0.254 612 I C 2.287 178.190 176.117 -0.357 0.000 1.156 612 I CA 1.551 62.409 61.300 -0.738 0.000 1.433 612 I CB -0.351 36.955 38.000 -1.156 0.000 1.082 612 I HN 0.127 nan 8.210 nan 0.000 0.432 613 K N -0.786 119.482 120.400 -0.219 0.000 2.288 613 K HA -0.128 4.193 4.320 0.001 0.000 0.201 613 K C 1.343 177.969 176.600 0.044 0.000 1.048 613 K CA 1.614 57.887 56.287 -0.024 0.000 0.956 613 K CB -0.086 32.468 32.500 0.089 0.000 0.746 613 K HN 0.625 nan 8.250 nan 0.000 0.461 614 Y N -2.503 117.758 120.300 -0.065 0.000 2.448 614 Y HA 0.317 4.867 4.550 0.001 0.000 0.257 614 Y C 0.479 176.272 175.900 -0.178 0.000 1.089 614 Y CA -0.802 57.211 58.100 -0.146 0.000 1.245 614 Y CB -0.045 38.345 38.460 -0.116 0.000 1.282 614 Y HN -0.257 nan 8.280 nan 0.000 0.529 615 S N 3.904 119.368 115.700 -0.394 0.000 2.737 615 S HA 0.018 4.489 4.470 0.001 0.000 0.315 615 S C -1.433 173.101 174.600 -0.110 0.000 1.236 615 S CA -0.634 57.431 58.200 -0.226 0.000 1.093 615 S CB 0.518 63.678 63.200 -0.067 0.000 0.832 615 S HN 0.241 nan 8.310 nan 0.000 0.507 616 P HA -0.141 nan 4.420 nan 0.000 0.215 616 P C 1.576 178.771 177.300 -0.175 0.000 1.157 616 P CA 0.611 63.511 63.100 -0.333 0.000 0.874 616 P CB 0.048 31.250 31.700 -0.829 0.000 0.790 617 L N -1.293 119.778 121.223 -0.253 0.000 2.187 617 L HA -0.163 4.178 4.340 0.001 0.000 0.213 617 L C 1.269 177.939 176.870 -0.333 0.000 1.100 617 L CA 2.057 56.787 54.840 -0.182 0.000 0.765 617 L CB -1.146 40.695 42.059 -0.363 0.000 0.904 617 L HN 0.114 nan 8.230 nan 0.000 0.437 618 H N -1.850 117.239 119.070 0.032 0.000 2.542 618 H HA 0.328 4.884 4.556 0.001 0.000 0.283 618 H C 0.532 175.885 175.328 0.041 0.000 1.059 618 H CA 0.103 56.166 56.048 0.026 0.000 1.162 618 H CB 0.038 29.768 29.762 -0.052 0.000 1.539 618 H HN 0.282 nan 8.280 nan 0.000 0.543 619 N N 0.544 119.318 118.700 0.124 0.000 2.305 619 N HA 0.085 4.826 4.740 0.001 0.000 0.248 619 N C -0.765 174.852 175.510 0.178 0.000 1.290 619 N CA 0.120 53.246 53.050 0.127 0.000 0.873 619 N CB 1.905 40.439 38.487 0.078 0.000 1.261 619 N HN -0.008 nan 8.380 nan 0.000 0.504 620 V N 1.665 121.692 119.914 0.188 0.000 2.470 620 V HA 0.204 4.324 4.120 0.001 0.000 0.276 620 V C 0.370 176.541 176.094 0.128 0.000 1.040 620 V CA 0.255 62.666 62.300 0.184 0.000 1.008 620 V CB 0.826 32.697 31.823 0.080 0.000 0.990 620 V HN 0.113 nan 8.190 nan 0.000 0.477 621 K N 4.755 125.258 120.400 0.173 0.000 2.557 621 K HA 0.454 4.774 4.320 0.001 0.000 0.257 621 K C -1.151 175.553 176.600 0.174 0.000 0.933 621 K CA -0.871 55.494 56.287 0.129 0.000 0.820 621 K CB 1.649 34.230 32.500 0.135 0.000 1.330 621 K HN 0.529 nan 8.250 nan 0.000 0.432 622 L N 4.824 126.096 121.223 0.082 0.000 2.540 622 L HA 0.115 4.456 4.340 0.001 0.000 0.276 622 L C -1.974 174.983 176.870 0.146 0.000 1.212 622 L CA -1.418 53.479 54.840 0.095 0.000 0.893 622 L CB 0.088 42.165 42.059 0.030 0.000 1.138 622 L HN 0.492 nan 8.230 nan 0.000 0.491 623 P HA 0.001 nan 4.420 nan 0.000 0.265 623 P C 0.233 177.580 177.300 0.078 0.000 1.193 623 P CA -0.086 63.091 63.100 0.128 0.000 0.765 623 P CB 0.802 32.574 31.700 0.120 0.000 0.823 624 E N 2.801 123.036 120.200 0.059 0.000 2.038 624 E HA -0.110 4.241 4.350 0.001 0.000 0.195 624 E C 0.628 177.248 176.600 0.033 0.000 1.000 624 E CA 1.175 57.600 56.400 0.042 0.000 0.803 624 E CB -0.438 29.283 29.700 0.035 0.000 0.750 624 E HN 0.595 nan 8.360 nan 0.000 0.448 625 A N 1.036 123.874 122.820 0.029 0.000 2.477 625 A HA 0.001 4.322 4.320 0.001 0.000 0.246 625 A C 0.545 178.144 177.584 0.025 0.000 1.078 625 A CA -0.030 52.020 52.037 0.022 0.000 0.770 625 A CB 0.214 19.223 19.000 0.015 0.000 1.011 625 A HN 0.168 nan 8.150 nan 0.000 0.494 626 D N 1.354 121.766 120.400 0.019 0.000 2.178 626 D HA -0.158 4.482 4.640 0.001 0.000 0.201 626 D C 0.824 177.135 176.300 0.020 0.000 0.980 626 D CA 1.763 55.774 54.000 0.019 0.000 0.842 626 D CB -0.018 40.790 40.800 0.013 0.000 0.948 626 D HN 0.811 nan 8.370 nan 0.000 0.472 627 D N 0.199 120.609 120.400 0.016 0.000 2.319 627 D HA -0.017 4.624 4.640 0.001 0.000 0.230 627 D C 0.568 176.879 176.300 0.019 0.000 1.094 627 D CA -0.034 53.974 54.000 0.014 0.000 0.856 627 D CB 0.019 40.823 40.800 0.007 0.000 0.915 627 D HN 0.228 nan 8.370 nan 0.000 0.517 628 I N 1.070 121.657 120.570 0.028 0.000 2.465 628 I HA 0.247 4.418 4.170 0.001 0.000 0.291 628 I C -0.124 176.034 176.117 0.068 0.000 1.014 628 I CA -0.874 60.447 61.300 0.035 0.000 1.093 628 I CB 1.919 39.932 38.000 0.022 0.000 1.267 628 I HN -0.047 nan 8.210 nan 0.000 0.431 629 Q N 4.248 124.100 119.800 0.087 0.000 2.633 629 Q HA 0.518 4.859 4.340 0.001 0.000 0.292 629 Q C -1.538 174.588 176.000 0.210 0.000 1.089 629 Q CA -0.953 54.941 55.803 0.151 0.000 0.811 629 Q CB 1.662 30.469 28.738 0.115 0.000 1.472 629 Q HN 0.364 nan 8.270 nan 0.000 0.464 630 Y N 1.464 121.792 120.300 0.045 0.000 2.326 630 Y HA 0.274 4.824 4.550 0.001 0.000 0.333 630 Y C -1.930 174.019 175.900 0.081 0.000 1.240 630 Y CA -1.780 56.358 58.100 0.063 0.000 1.365 630 Y CB 0.461 38.947 38.460 0.043 0.000 1.289 630 Y HN 0.524 nan 8.280 nan 0.000 0.548 631 P HA 0.044 nan 4.420 nan 0.000 0.273 631 P C -0.702 176.721 177.300 0.204 0.000 1.250 631 P CA -0.321 62.884 63.100 0.174 0.000 0.793 631 P CB 0.641 32.455 31.700 0.190 0.000 1.011 632 S N 0.507 116.315 115.700 0.180 0.000 2.549 632 S HA 0.269 4.739 4.470 0.001 0.000 0.283 632 S C 0.427 175.236 174.600 0.348 0.000 1.320 632 S CA 0.135 58.469 58.200 0.223 0.000 1.058 632 S CB -0.462 62.774 63.200 0.060 0.000 0.882 632 S HN 0.328 nan 8.310 nan 0.000 0.498 633 M N 3.062 122.893 119.600 0.386 0.000 2.386 633 M HA 0.497 4.977 4.480 0.001 0.000 0.293 633 M C -1.490 174.818 176.300 0.013 0.000 1.120 633 M CA -0.729 54.708 55.300 0.228 0.000 0.909 633 M CB 1.985 34.654 32.600 0.115 0.000 1.661 633 M HN 0.433 nan 8.290 nan 0.000 0.452 634 L N 4.431 125.515 121.223 -0.231 0.000 2.406 634 L HA 0.661 5.002 4.340 0.001 0.000 0.272 634 L C -1.867 174.858 176.870 -0.240 0.000 0.980 634 L CA -0.290 54.231 54.840 -0.532 0.000 0.831 634 L CB 1.568 42.930 42.059 -1.161 0.000 1.253 634 L HN 0.681 nan 8.230 nan 0.000 0.406 635 L N 6.064 127.193 121.223 -0.157 0.000 2.295 635 L HA 0.543 4.883 4.340 0.001 0.000 0.285 635 L C -0.805 176.033 176.870 -0.053 0.000 1.035 635 L CA -0.616 54.193 54.840 -0.052 0.000 0.806 635 L CB 1.503 43.572 42.059 0.017 0.000 1.214 635 L HN 0.513 nan 8.230 nan 0.000 0.426 636 L N 3.011 124.216 121.223 -0.030 0.000 2.325 636 L HA 0.640 4.981 4.340 0.001 0.000 0.281 636 L C -0.063 176.806 176.870 -0.002 0.000 1.004 636 L CA -0.049 54.784 54.840 -0.011 0.000 0.823 636 L CB 1.975 44.028 42.059 -0.010 0.000 1.236 636 L HN 0.625 nan 8.230 nan 0.000 0.415 637 T N 1.822 116.370 114.554 -0.011 0.000 2.696 637 T HA 0.898 5.249 4.350 0.001 0.000 0.291 637 T C -1.716 172.975 174.700 -0.016 0.000 1.095 637 T CA -0.259 61.846 62.100 0.008 0.000 1.026 637 T CB 2.115 71.005 68.868 0.037 0.000 1.390 637 T HN 0.686 nan 8.240 nan 0.000 0.513 638 A N 0.811 123.645 122.820 0.022 0.000 2.572 638 A HA 0.600 4.921 4.320 0.001 0.000 0.295 638 A C 0.304 177.924 177.584 0.060 0.000 1.072 638 A CA -0.112 51.942 52.037 0.028 0.000 0.691 638 A CB 1.365 20.400 19.000 0.058 0.000 1.291 638 A HN 0.871 nan 8.150 nan 0.000 0.404 639 D N -0.114 120.327 120.400 0.068 0.000 2.310 639 D HA -0.122 4.518 4.640 0.001 0.000 0.212 639 D C 0.561 176.833 176.300 -0.047 0.000 0.965 639 D CA 1.764 55.778 54.000 0.023 0.000 0.879 639 D CB -0.260 40.544 40.800 0.007 0.000 0.921 639 D HN 0.636 nan 8.370 nan 0.000 0.510 640 H N -0.735 118.368 119.070 0.054 0.000 2.505 640 H HA 0.212 4.769 4.556 0.001 0.000 0.286 640 H C -0.476 174.908 175.328 0.093 0.000 1.072 640 H CA -0.522 55.572 56.048 0.076 0.000 1.141 640 H CB 0.130 29.938 29.762 0.077 0.000 1.550 640 H HN -0.008 nan 8.280 nan 0.000 0.547 641 D N 1.684 122.184 120.400 0.166 0.000 2.416 641 D HA -0.048 4.592 4.640 0.001 0.000 0.240 641 D C 0.254 176.641 176.300 0.146 0.000 1.250 641 D CA -0.044 54.063 54.000 0.179 0.000 0.967 641 D CB 0.269 41.187 40.800 0.197 0.000 1.059 641 D HN 0.423 nan 8.370 nan 0.000 0.512 642 D N 2.093 122.572 120.400 0.133 0.000 2.339 642 D HA -0.042 4.598 4.640 0.001 0.000 0.217 642 D C 1.544 177.904 176.300 0.100 0.000 1.050 642 D CA -0.129 53.931 54.000 0.100 0.000 0.856 642 D CB 0.224 41.068 40.800 0.073 0.000 0.922 642 D HN 0.197 nan 8.370 nan 0.000 0.518 643 R N 0.615 121.168 120.500 0.087 0.000 2.052 643 R HA 0.150 4.490 4.340 0.001 0.000 0.224 643 R C 0.001 176.429 176.300 0.213 0.000 1.149 643 R CA 0.927 57.051 56.100 0.040 0.000 0.962 643 R CB -0.129 29.936 30.300 -0.391 0.000 0.856 643 R HN 0.024 nan 8.270 nan 0.000 0.433 644 V N 3.303 123.316 119.914 0.165 0.000 2.305 644 V HA 0.261 4.381 4.120 0.001 0.000 0.275 644 V C -0.561 175.710 176.094 0.294 0.000 1.020 644 V CA -1.062 61.423 62.300 0.308 0.000 0.811 644 V CB 1.165 33.078 31.823 0.150 0.000 1.031 644 V HN 0.255 nan 8.190 nan 0.000 0.439 645 V N 4.635 124.741 119.914 0.320 0.000 2.644 645 V HA 0.115 4.235 4.120 0.001 0.000 0.305 645 V C -0.485 175.697 176.094 0.147 0.000 1.053 645 V CA -0.506 61.888 62.300 0.156 0.000 1.186 645 V CB 0.185 31.997 31.823 -0.018 0.000 0.895 645 V HN 0.666 nan 8.190 nan 0.000 0.490 646 P HA -0.196 nan 4.420 nan 0.000 0.222 646 P C 1.502 178.797 177.300 -0.007 0.000 1.142 646 P CA 1.602 64.731 63.100 0.049 0.000 0.788 646 P CB -0.014 31.700 31.700 0.023 0.000 0.767 647 L N -2.886 118.265 121.223 -0.120 0.000 2.187 647 L HA -0.148 4.193 4.340 0.001 0.000 0.213 647 L C 2.506 179.264 176.870 -0.186 0.000 1.100 647 L CA 1.837 56.539 54.840 -0.231 0.000 0.765 647 L CB -2.273 39.554 42.059 -0.388 0.000 0.904 647 L HN -0.047 nan 8.230 nan 0.000 0.437 648 H N 0.309 119.353 119.070 -0.043 0.000 2.290 648 H HA -0.079 4.477 4.556 0.001 0.000 0.298 648 H C 2.405 177.751 175.328 0.030 0.000 1.087 648 H CA 1.947 58.000 56.048 0.009 0.000 1.291 648 H CB -0.162 29.630 29.762 0.050 0.000 1.369 648 H HN 0.483 nan 8.280 nan 0.000 0.492 649 S N 0.490 116.294 115.700 0.173 0.000 2.406 649 S HA -0.030 4.441 4.470 0.001 0.000 0.228 649 S C 2.491 177.156 174.600 0.107 0.000 1.020 649 S CA 0.341 58.639 58.200 0.162 0.000 0.965 649 S CB -0.080 63.191 63.200 0.118 0.000 0.798 649 S HN 0.222 nan 8.310 nan 0.000 0.488 650 L N 1.055 122.290 121.223 0.021 0.000 2.017 650 L HA -0.122 4.218 4.340 0.001 0.000 0.208 650 L C 2.367 179.096 176.870 -0.234 0.000 1.073 650 L CA 1.344 56.148 54.840 -0.060 0.000 0.745 650 L CB -0.537 41.386 42.059 -0.226 0.000 0.894 650 L HN 0.236 nan 8.230 nan 0.000 0.432 651 K N -0.654 119.606 120.400 -0.233 0.000 2.097 651 K HA -0.168 4.153 4.320 0.001 0.000 0.205 651 K C 2.075 178.633 176.600 -0.071 0.000 1.050 651 K CA 1.202 57.353 56.287 -0.228 0.000 0.938 651 K CB -0.239 32.179 32.500 -0.137 0.000 0.718 651 K HN 0.043 nan 8.250 nan 0.000 0.442 652 F N 1.677 121.545 119.950 -0.137 0.000 2.102 652 F HA -0.159 4.369 4.527 0.001 0.000 0.298 652 F C 1.994 177.727 175.800 -0.113 0.000 1.105 652 F CA 0.850 58.790 58.000 -0.099 0.000 1.239 652 F CB -0.357 38.613 39.000 -0.050 0.000 0.991 652 F HN -0.125 nan 8.300 nan 0.000 0.474 653 I N 0.455 120.922 120.570 -0.173 0.000 2.315 653 I HA -0.117 4.054 4.170 0.001 0.000 0.248 653 I C 2.408 178.355 176.117 -0.284 0.000 1.117 653 I CA 1.480 62.608 61.300 -0.286 0.000 1.404 653 I CB -0.983 36.933 38.000 -0.139 0.000 1.071 653 I HN 0.138 nan 8.210 nan 0.000 0.419 654 A N -0.819 121.845 122.820 -0.259 0.000 1.908 654 A HA -0.223 4.097 4.320 0.001 0.000 0.218 654 A C 2.348 179.639 177.584 -0.488 0.000 1.181 654 A CA 2.507 54.246 52.037 -0.496 0.000 0.627 654 A CB -1.345 16.944 19.000 -1.185 0.000 0.818 654 A HN 0.452 nan 8.150 nan 0.000 0.445 655 T N 0.381 114.736 114.554 -0.333 0.000 2.737 655 T HA -0.064 4.286 4.350 0.001 0.000 0.265 655 T C 1.846 176.469 174.700 -0.128 0.000 1.038 655 T CA 1.387 63.470 62.100 -0.028 0.000 1.144 655 T CB -0.387 68.520 68.868 0.066 0.000 0.866 655 T HN 0.349 nan 8.240 nan 0.000 0.434 656 L N 0.751 121.764 121.223 -0.349 0.000 2.012 656 L HA -0.188 4.152 4.340 0.001 0.000 0.210 656 L C 2.937 179.581 176.870 -0.376 0.000 1.073 656 L CA 1.542 56.117 54.840 -0.443 0.000 0.748 656 L CB -0.550 41.142 42.059 -0.612 0.000 0.891 656 L HN 0.330 nan 8.230 nan 0.000 0.431 657 Q N -1.598 117.960 119.800 -0.402 0.000 2.167 657 Q HA -0.240 4.101 4.340 0.001 0.000 0.202 657 Q C 1.988 177.874 176.000 -0.190 0.000 0.970 657 Q CA 1.697 57.201 55.803 -0.497 0.000 0.855 657 Q CB -0.143 28.190 28.738 -0.675 0.000 0.911 657 Q HN 0.473 nan 8.270 nan 0.000 0.438 658 Y N 0.796 120.996 120.300 -0.168 0.000 2.176 658 Y HA -0.170 4.380 4.550 0.001 0.000 0.291 658 Y C 1.908 177.782 175.900 -0.043 0.000 1.122 658 Y CA 1.088 59.169 58.100 -0.033 0.000 1.128 658 Y CB 0.028 38.546 38.460 0.096 0.000 1.005 658 Y HN -0.018 nan 8.280 nan 0.000 0.509 659 I N -0.831 119.704 120.570 -0.058 0.000 2.202 659 I HA -0.185 3.985 4.170 0.001 0.000 0.242 659 I C 2.146 178.135 176.117 -0.214 0.000 1.091 659 I CA 1.267 62.478 61.300 -0.150 0.000 1.368 659 I CB -1.300 36.676 38.000 -0.040 0.000 1.058 659 I HN 0.185 nan 8.210 nan 0.000 0.410 660 V N 0.462 120.218 119.914 -0.264 0.000 2.672 660 V HA 0.151 4.271 4.120 0.001 0.000 0.242 660 V C 2.581 178.570 176.094 -0.175 0.000 1.059 660 V CA 1.237 63.363 62.300 -0.290 0.000 1.081 660 V CB -0.844 30.631 31.823 -0.581 0.000 0.752 660 V HN 0.403 nan 8.190 nan 0.000 0.472 661 G N 0.426 109.120 108.800 -0.177 0.000 2.442 661 G HA2 -0.249 3.711 3.960 0.001 0.000 0.219 661 G HA3 -0.249 3.711 3.960 0.001 0.000 0.219 661 G C 1.675 176.621 174.900 0.077 0.000 1.141 661 G CA 0.656 45.746 45.100 -0.017 0.000 0.763 661 G HN 0.422 nan 8.290 nan 0.000 0.554 662 R N 0.745 121.226 120.500 -0.032 0.000 2.280 662 R HA 0.061 4.401 4.340 0.001 0.000 0.207 662 R C 1.274 177.545 176.300 -0.048 0.000 1.043 662 R CA 0.519 56.596 56.100 -0.038 0.000 1.006 662 R CB -0.062 30.147 30.300 -0.151 0.000 0.885 662 R HN 0.453 nan 8.270 nan 0.000 0.467 663 S N 0.443 116.110 115.700 -0.055 0.000 2.564 663 S HA 0.151 4.622 4.470 0.001 0.000 0.278 663 S C 1.081 175.671 174.600 -0.017 0.000 1.333 663 S CA -0.814 57.362 58.200 -0.041 0.000 1.048 663 S CB 1.590 64.764 63.200 -0.042 0.000 0.900 663 S HN 0.037 nan 8.310 nan 0.000 0.505 664 R N 2.672 123.163 120.500 -0.016 0.000 2.105 664 R HA -0.111 4.230 4.340 0.001 0.000 0.239 664 R C 2.091 178.388 176.300 -0.004 0.000 1.135 664 R CA 2.087 58.180 56.100 -0.012 0.000 0.967 664 R CB -0.924 29.370 30.300 -0.011 0.000 0.861 664 R HN 0.967 nan 8.270 nan 0.000 0.442 665 K N 0.598 121.000 120.400 0.004 0.000 2.439 665 K HA -0.071 4.250 4.320 0.001 0.000 0.197 665 K C 0.670 177.286 176.600 0.026 0.000 1.041 665 K CA 0.392 56.687 56.287 0.014 0.000 0.970 665 K CB 0.041 32.554 32.500 0.021 0.000 0.773 665 K HN -0.156 nan 8.250 nan 0.000 0.479 666 Q N 2.009 121.824 119.800 0.025 0.000 2.369 666 Q HA 0.111 4.451 4.340 0.001 0.000 0.247 666 Q C -0.352 175.669 176.000 0.035 0.000 1.083 666 Q CA 0.004 55.832 55.803 0.043 0.000 0.905 666 Q CB 0.666 29.427 28.738 0.038 0.000 1.305 666 Q HN 0.254 nan 8.270 nan 0.000 0.465 667 N N 2.550 121.272 118.700 0.037 0.000 2.348 667 N HA 0.049 4.789 4.740 0.001 0.000 0.183 667 N C -0.570 174.963 175.510 0.039 0.000 1.094 667 N CA 0.041 53.100 53.050 0.016 0.000 0.885 667 N CB 0.319 38.813 38.487 0.013 0.000 1.065 667 N HN 0.409 nan 8.380 nan 0.000 0.472 668 N N 3.242 121.987 118.700 0.075 0.000 2.513 668 N HA 0.166 4.906 4.740 0.001 0.000 0.268 668 N C -2.352 173.237 175.510 0.133 0.000 1.180 668 N CA -0.878 52.230 53.050 0.097 0.000 0.948 668 N CB 0.705 39.261 38.487 0.116 0.000 1.083 668 N HN 0.164 nan 8.380 nan 0.000 0.455 669 P HA 0.170 nan 4.420 nan 0.000 0.275 669 P C -0.728 176.715 177.300 0.239 0.000 1.228 669 P CA -0.101 63.125 63.100 0.209 0.000 0.786 669 P CB 0.927 32.616 31.700 -0.017 0.000 0.927 670 L N 3.430 124.794 121.223 0.234 0.000 2.401 670 L HA 0.470 4.810 4.340 0.001 0.000 0.263 670 L C 0.023 176.865 176.870 -0.046 0.000 1.004 670 L CA -0.342 54.516 54.840 0.031 0.000 0.881 670 L CB 0.796 42.771 42.059 -0.140 0.000 1.219 670 L HN 0.240 nan 8.230 nan 0.000 0.441 671 L N 3.424 124.593 121.223 -0.090 0.000 2.309 671 L HA 0.680 5.020 4.340 0.001 0.000 0.261 671 L C -0.787 175.972 176.870 -0.185 0.000 1.021 671 L CA -0.788 53.954 54.840 -0.163 0.000 0.823 671 L CB 3.137 45.067 42.059 -0.216 0.000 1.366 671 L HN 0.434 nan 8.230 nan 0.000 0.423 672 I N -0.170 120.309 120.570 -0.152 0.000 2.686 672 I HA 0.395 4.566 4.170 0.001 0.000 0.295 672 I C -1.490 174.613 176.117 -0.023 0.000 1.114 672 I CA -0.324 60.919 61.300 -0.094 0.000 1.038 672 I CB 2.333 40.293 38.000 -0.066 0.000 1.238 672 I HN 0.658 nan 8.210 nan 0.000 0.420 673 H N 6.822 125.828 119.070 -0.107 0.000 2.658 673 H HA 0.506 5.063 4.556 0.001 0.000 0.337 673 H C -1.873 173.432 175.328 -0.037 0.000 1.009 673 H CA -0.643 55.359 56.048 -0.077 0.000 1.231 673 H CB 1.998 31.712 29.762 -0.079 0.000 1.508 673 H HN 0.360 nan 8.280 nan 0.000 0.517 674 V N 5.583 125.262 119.914 -0.391 0.000 2.328 674 V HA 0.053 4.173 4.120 0.001 0.000 0.278 674 V C 0.250 176.084 176.094 -0.434 0.000 1.021 674 V CA -0.652 61.475 62.300 -0.288 0.000 0.838 674 V CB 1.199 32.957 31.823 -0.108 0.000 0.999 674 V HN 0.750 nan 8.190 nan 0.000 0.447 675 D N 3.351 123.546 120.400 -0.341 0.000 2.354 675 D HA 0.501 5.141 4.640 0.001 0.000 0.247 675 D C 0.363 176.629 176.300 -0.056 0.000 1.138 675 D CA 0.065 53.933 54.000 -0.220 0.000 0.958 675 D CB 1.643 42.383 40.800 -0.100 0.000 1.144 675 D HN 0.678 nan 8.370 nan 0.000 0.458 676 T N -1.395 113.157 114.554 -0.004 0.000 2.945 676 T HA 0.400 4.750 4.350 0.001 0.000 0.286 676 T C -0.013 174.720 174.700 0.055 0.000 1.025 676 T CA -0.911 61.225 62.100 0.059 0.000 1.039 676 T CB 1.094 69.994 68.868 0.053 0.000 1.068 676 T HN 0.495 nan 8.240 nan 0.000 0.497 677 K N -0.441 119.994 120.400 0.059 0.000 3.035 677 K HA -0.092 4.228 4.320 0.001 0.000 0.262 677 K C 0.008 176.567 176.600 -0.068 0.000 1.024 677 K CA 0.638 56.864 56.287 -0.102 0.000 0.748 677 K CB -2.174 30.285 32.500 -0.068 0.000 1.247 677 K HN 1.028 nan 8.250 nan 0.000 0.482 678 A N -0.815 122.018 122.820 0.021 0.000 2.594 678 A HA 0.864 5.184 4.320 0.001 0.000 0.291 678 A C 0.212 177.868 177.584 0.121 0.000 1.105 678 A CA -0.097 51.968 52.037 0.046 0.000 0.694 678 A CB 1.984 21.009 19.000 0.042 0.000 1.291 678 A HN 0.256 nan 8.150 nan 0.000 0.410 679 G N -1.307 107.562 108.800 0.115 0.000 3.214 679 G HA2 0.407 4.367 3.960 0.001 0.000 0.188 679 G HA3 0.407 4.367 3.960 0.001 0.000 0.188 679 G C 0.559 175.555 174.900 0.159 0.000 1.126 679 G CA 0.565 45.763 45.100 0.163 0.000 0.796 679 G HN 0.899 nan 8.290 nan 0.000 0.631 680 H N -0.488 118.628 119.070 0.077 0.000 2.387 680 H HA 0.089 4.646 4.556 0.001 0.000 0.299 680 H C 1.969 177.324 175.328 0.045 0.000 1.099 680 H CA 3.164 59.248 56.048 0.060 0.000 1.315 680 H CB 0.166 29.966 29.762 0.064 0.000 1.380 680 H HN 0.836 nan 8.280 nan 0.000 0.513 681 G N -2.195 106.635 108.800 0.049 0.000 3.611 681 G HA2 -0.038 3.923 3.960 0.001 0.000 0.217 681 G HA3 -0.038 3.923 3.960 0.001 0.000 0.217 681 G C 0.256 175.172 174.900 0.027 0.000 1.023 681 G CA -0.060 45.032 45.100 -0.013 0.000 0.887 681 G HN 0.609 nan 8.290 nan 0.000 0.420 682 A N 0.678 123.534 122.820 0.061 0.000 2.511 682 A HA 0.559 4.880 4.320 0.001 0.000 0.242 682 A C 1.914 179.530 177.584 0.054 0.000 1.069 682 A CA 1.821 53.893 52.037 0.057 0.000 0.763 682 A CB -0.274 18.772 19.000 0.076 0.000 1.001 682 A HN 2.399 nan 8.150 nan 0.000 0.498 683 G N 1.115 109.940 108.800 0.042 0.000 2.179 683 G HA2 -0.282 3.678 3.960 0.001 0.000 0.260 683 G HA3 -0.282 3.678 3.960 0.001 0.000 0.260 683 G C 0.408 175.330 174.900 0.037 0.000 0.977 683 G CA 0.719 45.843 45.100 0.040 0.000 0.641 683 G HN 1.061 nan 8.290 nan 0.000 0.533 684 K N 2.090 122.512 120.400 0.037 0.000 2.447 684 K HA 0.296 4.617 4.320 0.001 0.000 0.281 684 K C -1.513 175.110 176.600 0.039 0.000 1.031 684 K CA -0.989 55.319 56.287 0.034 0.000 1.019 684 K CB 0.628 33.146 32.500 0.030 0.000 0.918 684 K HN 0.183 nan 8.250 nan 0.000 0.476 685 P HA -0.032 nan 4.420 nan 0.000 0.269 685 P C 0.172 177.506 177.300 0.058 0.000 1.209 685 P CA -0.121 63.003 63.100 0.040 0.000 0.776 685 P CB 0.827 32.545 31.700 0.029 0.000 0.876 686 T N 2.078 116.678 114.554 0.077 0.000 2.685 686 T HA -0.239 4.111 4.350 0.001 0.000 0.268 686 T C 1.886 176.646 174.700 0.099 0.000 1.034 686 T CA 2.373 64.552 62.100 0.130 0.000 1.149 686 T CB -0.733 68.220 68.868 0.142 0.000 0.860 686 T HN 0.567 nan 8.240 nan 0.000 0.449 687 A N 1.539 124.400 122.820 0.068 0.000 1.908 687 A HA -0.169 4.151 4.320 0.001 0.000 0.218 687 A C 2.294 179.911 177.584 0.054 0.000 1.181 687 A CA 1.748 53.820 52.037 0.058 0.000 0.627 687 A CB -0.452 18.573 19.000 0.042 0.000 0.818 687 A HN 0.475 nan 8.150 nan 0.000 0.445 688 K N -0.601 119.828 120.400 0.049 0.000 2.103 688 K HA -0.018 4.302 4.320 0.001 0.000 0.204 688 K C 1.887 178.514 176.600 0.044 0.000 1.052 688 K CA 1.184 57.500 56.287 0.048 0.000 0.945 688 K CB -0.288 32.238 32.500 0.042 0.000 0.722 688 K HN 0.313 nan 8.250 nan 0.000 0.443 689 V N 1.928 121.863 119.914 0.035 0.000 2.332 689 V HA -0.265 3.856 4.120 0.001 0.000 0.248 689 V C 2.168 178.262 176.094 -0.000 0.000 1.055 689 V CA 1.672 63.975 62.300 0.006 0.000 1.038 689 V CB -0.379 31.433 31.823 -0.020 0.000 0.651 689 V HN 0.279 nan 8.190 nan 0.000 0.450 690 I N -0.323 120.257 120.570 0.016 0.000 2.226 690 I HA -0.187 3.984 4.170 0.001 0.000 0.245 690 I C 2.650 178.816 176.117 0.081 0.000 1.100 690 I CA 1.306 62.633 61.300 0.044 0.000 1.374 690 I CB -0.425 37.615 38.000 0.067 0.000 1.057 690 I HN 0.325 nan 8.210 nan 0.000 0.413 691 E N 0.571 120.809 120.200 0.065 0.000 2.077 691 E HA -0.273 4.078 4.350 0.001 0.000 0.193 691 E C 1.939 178.571 176.600 0.052 0.000 0.989 691 E CA 1.203 57.639 56.400 0.060 0.000 0.800 691 E CB -0.305 29.429 29.700 0.058 0.000 0.746 691 E HN 0.568 nan 8.360 nan 0.000 0.452 692 E N 0.885 121.117 120.200 0.053 0.000 2.051 692 E HA -0.160 4.190 4.350 0.001 0.000 0.192 692 E C 2.218 178.833 176.600 0.025 0.000 0.991 692 E CA 1.931 58.355 56.400 0.040 0.000 0.799 692 E CB 0.099 29.821 29.700 0.037 0.000 0.748 692 E HN 0.160 nan 8.360 nan 0.000 0.449 693 V N -1.250 118.704 119.914 0.067 0.000 2.515 693 V HA -0.140 3.980 4.120 0.001 0.000 0.250 693 V C 2.194 178.315 176.094 0.045 0.000 1.058 693 V CA 1.811 64.186 62.300 0.126 0.000 1.064 693 V CB -0.455 31.532 31.823 0.272 0.000 0.675 693 V HN 0.111 nan 8.190 nan 0.000 0.461 694 S N 0.688 116.436 115.700 0.081 0.000 2.382 694 S HA -0.179 4.291 4.470 0.001 0.000 0.228 694 S C 1.712 176.273 174.600 -0.066 0.000 1.027 694 S CA 1.723 59.933 58.200 0.016 0.000 0.991 694 S CB -0.532 62.759 63.200 0.151 0.000 0.823 694 S HN 0.688 nan 8.310 nan 0.000 0.469 695 D N 1.408 121.785 120.400 -0.040 0.000 2.097 695 D HA -0.032 4.609 4.640 0.001 0.000 0.195 695 D C 1.928 178.198 176.300 -0.049 0.000 0.989 695 D CA 1.037 55.008 54.000 -0.049 0.000 0.827 695 D CB -0.299 40.455 40.800 -0.077 0.000 0.966 695 D HN 0.359 nan 8.370 nan 0.000 0.456 696 M N -0.506 119.014 119.600 -0.133 0.000 2.065 696 M HA -0.152 4.329 4.480 0.001 0.000 0.259 696 M C 2.024 178.127 176.300 -0.328 0.000 1.069 696 M CA 1.387 56.536 55.300 -0.253 0.000 1.110 696 M CB -0.366 31.972 32.600 -0.436 0.000 1.328 696 M HN -0.043 nan 8.290 nan 0.000 0.405 697 F N -0.026 119.810 119.950 -0.190 0.000 2.407 697 F HA 0.012 4.540 4.527 0.001 0.000 0.299 697 F C 2.519 178.293 175.800 -0.043 0.000 1.097 697 F CA 0.961 58.846 58.000 -0.192 0.000 1.422 697 F CB -0.851 37.804 39.000 -0.574 0.000 1.067 697 F HN 0.101 nan 8.300 nan 0.000 0.539 698 A N -0.353 122.499 122.820 0.053 0.000 1.897 698 A HA -0.157 4.163 4.320 0.001 0.000 0.215 698 A C 2.054 179.718 177.584 0.134 0.000 1.181 698 A CA 0.994 53.081 52.037 0.084 0.000 0.620 698 A CB -1.209 17.812 19.000 0.035 0.000 0.821 698 A HN 0.345 nan 8.150 nan 0.000 0.443 699 F N 0.815 120.778 119.950 0.022 0.000 2.102 699 F HA -0.167 4.360 4.527 0.001 0.000 0.298 699 F C 1.968 177.846 175.800 0.128 0.000 1.105 699 F CA 1.718 59.782 58.000 0.107 0.000 1.239 699 F CB -0.283 38.768 39.000 0.086 0.000 0.991 699 F HN 0.179 nan 8.300 nan 0.000 0.474 700 I N 0.098 120.764 120.570 0.160 0.000 2.163 700 I HA -0.345 3.825 4.170 0.001 0.000 0.243 700 I C 2.702 178.896 176.117 0.128 0.000 1.085 700 I CA 1.323 62.699 61.300 0.127 0.000 1.347 700 I CB -1.005 37.129 38.000 0.224 0.000 1.044 700 I HN 0.230 nan 8.210 nan 0.000 0.408 701 A N 0.713 123.643 122.820 0.184 0.000 1.883 701 A HA -0.283 4.038 4.320 0.001 0.000 0.217 701 A C 2.423 180.051 177.584 0.073 0.000 1.186 701 A CA 2.194 54.338 52.037 0.178 0.000 0.624 701 A CB -0.694 18.436 19.000 0.216 0.000 0.822 701 A HN 0.391 nan 8.150 nan 0.000 0.444 702 R N -0.903 119.593 120.500 -0.007 0.000 2.062 702 R HA -0.115 4.225 4.340 0.001 0.000 0.229 702 R C 2.159 178.428 176.300 -0.052 0.000 1.128 702 R CA 1.903 57.956 56.100 -0.078 0.000 0.960 702 R CB -0.706 29.451 30.300 -0.239 0.000 0.855 702 R HN 0.539 nan 8.270 nan 0.000 0.432 703 C N 0.428 119.662 119.300 -0.111 0.000 2.425 703 C HA 0.010 4.471 4.460 0.001 0.000 0.277 703 C C 2.175 177.157 174.990 -0.013 0.000 1.280 703 C CA 0.465 59.424 59.018 -0.098 0.000 1.744 703 C CB -0.662 26.889 27.740 -0.315 0.000 1.989 703 C HN 0.509 nan 8.230 nan 0.000 0.491 704 L N 0.364 121.601 121.223 0.022 0.000 2.607 704 L HA 0.172 4.512 4.340 0.001 0.000 0.228 704 L C 0.521 177.433 176.870 0.070 0.000 1.123 704 L CA 0.127 55.007 54.840 0.067 0.000 0.890 704 L CB -0.614 41.516 42.059 0.119 0.000 1.103 704 L HN 0.306 nan 8.230 nan 0.000 0.468 705 N N 1.865 120.600 118.700 0.058 0.000 2.696 705 N HA -0.198 4.542 4.740 0.001 0.000 0.256 705 N C -0.589 174.970 175.510 0.082 0.000 1.031 705 N CA 0.503 53.587 53.050 0.058 0.000 0.730 705 N CB -1.114 37.399 38.487 0.043 0.000 0.894 705 N HN 0.325 nan 8.380 nan 0.000 0.544 706 I N 0.457 121.096 120.570 0.116 0.000 2.353 706 I HA 0.201 4.372 4.170 0.001 0.000 0.293 706 I C 0.558 176.768 176.117 0.156 0.000 0.992 706 I CA -0.752 60.631 61.300 0.138 0.000 1.268 706 I CB 0.960 39.074 38.000 0.189 0.000 1.387 706 I HN 0.055 nan 8.210 nan 0.000 0.478 707 D N 5.396 125.877 120.400 0.135 0.000 2.302 707 D HA 0.069 4.710 4.640 0.001 0.000 0.248 707 D C -0.591 175.847 176.300 0.229 0.000 1.094 707 D CA -0.211 53.887 54.000 0.165 0.000 0.897 707 D CB 1.347 42.216 40.800 0.114 0.000 1.200 707 D HN 0.401 nan 8.370 nan 0.000 0.429 708 W N 3.651 124.996 121.300 0.074 0.000 2.238 708 W HA 0.278 4.938 4.660 0.001 0.000 0.321 708 W C -0.885 175.688 176.519 0.089 0.000 1.293 708 W CA -0.393 57.008 57.345 0.093 0.000 1.204 708 W CB 0.476 29.985 29.460 0.082 0.000 1.167 708 W HN 0.262 nan 8.180 nan 0.000 0.553 709 I N 8.964 129.303 120.570 -0.386 0.000 2.359 709 I HA 0.159 4.330 4.170 0.001 0.000 0.284 709 I C -1.777 174.149 176.117 -0.318 0.000 1.018 709 I CA -2.105 59.042 61.300 -0.255 0.000 1.173 709 I CB 1.042 38.898 38.000 -0.240 0.000 1.326 709 I HN 0.095 nan 8.210 nan 0.000 0.462 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.195 63.100 0.159 0.000 0.800 710 P CB 0.000 31.802 31.700 0.169 0.000 0.726